data_5kk3_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 5kk3 _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 ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB1' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 1.036 ' HB1' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.704 0.288 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.632 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.787 0.327 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.525 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.469 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.575 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.719 0.295 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.575 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . 0.759 HD11 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.759 ' OXT' HD11 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . 0.408 ' HA ' HG13 ' G' ' 41' ' ' ILE . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB2' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB2' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.923 ' OXT' ' CB ' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.923 ' CB ' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.527 ' OXT' ' HB2' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.527 ' HB2' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.501 ' CB ' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . 0.465 HD13 ' OXT' ' P' ' 42' ' ' ALA . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.465 ' OXT' HD13 ' P' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.705 0.288 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.712 ' O ' ' CD1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.673 ' CB ' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.747 0.308 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.442 HG22 ' HA ' ' D' ' 41' ' ' ILE . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.566 ' HB1' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.442 ' HA ' HG22 ' C' ' 41' ' ' ILE . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.621 ' OXT' ' HB1' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.421 HG13 ' HA ' ' F' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.621 ' HB1' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.328 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG13 ' E' ' 41' ' ' ILE . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.684 0.278 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.71 0.29 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.689 0.281 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 1.019 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.734 0.302 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 1.019 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.907 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.765 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.761 ' OXT' ' HB2' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.761 ' HB2' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . 0.907 HD12 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.907 ' O ' HD12 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB1' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.636 ' HB1' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . 0.471 ' HB1' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.778 ' OXT' ' CB ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.778 ' CB ' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.499 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.419 ' OXT' ' HB1' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.686 0.279 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.419 ' HB1' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.694 HD13 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.621 HD11 ' OXT' ' F' ' 42' ' ' ALA . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.73 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.679 ' HB1' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . 0.77 ' OXT' ' HB2' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.77 ' HB2' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.685 ' OXT' ' HB2' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.744 0.306 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.402 ' HA ' HG22 ' M' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.773 ' CB ' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.714 0.292 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . 0.975 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.975 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.709 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . 0.959 HD11 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.959 ' OXT' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.725 0.298 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.833 ' OXT' ' CB ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.744 0.307 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.833 ' CB ' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.713 0.292 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.889 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 1.075 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 1.075 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.728 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.728 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.681 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.681 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.675 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.609 HD11 ' O ' ' E' ' 42' ' ' ALA . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.609 ' O ' HD11 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.761 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.708 0.289 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.761 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.727 0.298 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . 0.615 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.615 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.773 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.55 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.55 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . 0.983 HD11 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.983 ' O ' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.653 ' OXT' ' HB1' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.696 0.284 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . 0.5 ' HB2' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.691 ' HB2' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.42 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.643 ' HB1' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.745 0.307 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.437 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.545 HD13 ' OXT' ' E' ' 42' ' ' ALA . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.729 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 m170 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.564 ' HB1' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.537 ' HB2' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.433 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' M' ' 32' ' ' ILE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.724 ' OXT' ' HB1' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' L' ' 32' ' ' ILE . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.724 ' HB1' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.797 ' OXT' ' HB2' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.72 0.295 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.797 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.516 ' HB2' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 1.043 ' OXT' ' CB ' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . 1.043 ' CB ' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.724 0.297 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.718 ' CD1' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.865 ' OXT' ' HB2' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.865 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.512 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.75 0.31 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.308 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.775 0.322 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.834 ' OXT' ' HB2' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.755 0.312 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.722 ' OXT' ' HB1' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.755 0.312 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.722 ' HB1' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.681 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.65 0.262 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.681 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . 0.408 HD12 ' OXT' ' P' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.799 0.333 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.527 ' OXT' ' CB ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.749 0.309 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.409 HG13 ' HA3' ' D' ' 29' ' ' GLY . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.574 ' OXT' ' CB ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' F' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.574 ' CB ' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.695 HD13 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.695 ' OXT' HD13 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' H' ' 35' ' ' MET . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.407 ' C ' ' O ' ' H' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB1' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.779 0.323 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.841 ' OXT' ' HB1' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 0.841 ' HB1' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.9 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.324 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.9 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.838 ' CB ' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . 0.514 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.514 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' OXT' ' HB2' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 42' ' ' ALA . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.774 ' OXT' ' HB2' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' D' ' 41' ' ' ILE . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.774 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.429 ' HA ' HG13 ' C' ' 41' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.534 ' OXT' ' HB2' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB2' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' G' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.678 ' OXT' ' HB2' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' I' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . 0.678 ' HB2' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.404 ' HA ' HG13 ' H' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.449 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.744 0.307 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.57 ' OXT' ' HB2' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.747 0.308 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' J' ' 42' ' ' ALA . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.71 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.71 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.453 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.676 ' OXT' ' HB2' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.758 0.313 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.656 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.679 0.276 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.788 ' OXT' ' HB2' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.844 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.432 ' HA ' HG13 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.749 ' HB1' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.794 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.748 0.308 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' H' ' 41' ' ' ILE . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . 0.409 ' HA ' HG13 ' G' ' 41' ' ' ILE . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.906 ' OXT' ' HB1' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.754 0.311 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.938 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.721 0.296 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . 0.676 ' CD1' ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 1.025 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 1.025 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.883 ' HB2' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.744 ' HB1' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.716 ' HB1' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB1' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . 0.738 ' HB1' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.589 ' OXT' ' CB ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' C' ' 20' ' ' PHE . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.634 ' OXT' ' HB1' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 25.6 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' B' ' 20' ' ' PHE . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . 0.665 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ILE . . . . . 0.923 HD13 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' ALA . . . . . 0.923 ' O ' HD13 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.803 HD12 ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.839 ' OXT' ' HB1' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 41' ' ' ILE . . . . . 0.851 ' CD1' ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 42' ' ' ALA . . . . . 0.851 ' O ' ' CD1' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.745 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 42' ' ' ALA . . . . . 0.604 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.445 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 42' ' ' ALA . . . . . 0.445 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.655 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.752 0.31 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 42' ' ' ALA . . . . . 0.655 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.637 ' OXT' ' HB2' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.695 0.283 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 42' ' ' ALA . . . . . 1.158 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.734 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 1.158 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.675 0.274 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 42' ' ' ALA . . . . . 0.8 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.787 ' CB ' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.693 0.282 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 41' ' ' ILE . . . . . 0.797 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 42' ' ' ALA . . . . . 0.797 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.54 140.43 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -90.78 134.21 34.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -120.03 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB1' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 1.036 ' HB1' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.42 140.19 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -107.96 155.92 19.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.15 -70.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.632 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.364 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.66 39.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -118.55 113.31 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 100.42 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.35 135.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -140.04 132.73 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -70.85 -68.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.525 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -148.22 149.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -75.0 71.91 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -132.63 165.53 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.469 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.575 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.902 0.382 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -125.28 -178.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.08 147.61 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -175.23 137.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.575 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . 0.759 HD11 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.759 ' OXT' HD11 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.46 122.78 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -178.62 -173.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.08 157.04 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . 0.408 ' HA ' HG13 ' G' ' 41' ' ' ILE . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB2' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.2 m -94.61 -176.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -112.44 -50.95 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -68.96 143.96 54.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.59 61.81 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB2' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -114.77 176.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.93 -168.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.923 ' OXT' ' CB ' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.71 136.56 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -174.56 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -112.9 111.87 22.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.923 ' CB ' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.71 137.89 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -137.16 136.67 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -146.46 156.24 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.527 ' OXT' ' HB2' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -119.93 142.98 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -138.88 141.33 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -92.82 -70.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.527 ' HB2' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -118.36 82.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -75.11 81.05 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -56.89 -74.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.501 ' CB ' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 133.56 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -173.92 170.87 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -179.19 119.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.04 118.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -135.27 148.4 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.52 166.27 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . 0.465 HD13 ' OXT' ' P' ' 42' ' ' ALA . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.465 ' OXT' HD13 ' P' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.946 0.403 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 p -120.97 148.37 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -71.77 -71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -177.57 176.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t 52.13 68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -170.77 159.43 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -52.95 150.53 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -92.12 46.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 m170 58.42 41.04 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -39.43 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.712 ' O ' ' CD1' ' A' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.673 ' CB ' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.63 138.04 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.29 -171.75 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -53.73 -67.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.442 HG22 ' HA ' ' D' ' 41' ' ' ILE . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.566 ' HB1' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -62.66 170.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -86.71 164.45 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -131.2 -59.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.442 ' HA ' HG22 ' C' ' 41' ' ' ILE . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.621 ' OXT' ' HB1' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 t 56.42 68.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -89.14 94.35 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -66.97 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.421 HG13 ' HA ' ' F' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.621 ' HB1' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.81 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.02 153.32 17.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.61 -74.72 0.61 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG13 ' E' ' 41' ' ' ILE . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -92.49 178.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -174.95 140.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -176.64 -177.8 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -142.54 151.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -63.33 167.41 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.88 -64.95 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.61 137.82 53.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 57.71 52.0 8.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -139.82 139.97 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -124.65 92.05 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 m -133.2 36.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -74.46 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -72.49 -38.51 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 1.019 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 26.5 m -103.31 134.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -120.7 -169.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -143.24 123.18 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 1.019 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.907 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.46 50.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 61.49 53.13 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -56.84 -62.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.09 -176.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -61.12 177.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -142.06 162.94 34.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.761 ' OXT' ' HB2' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.7 79.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.216 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -148.12 113.95 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -176.71 -174.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.761 ' HB2' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.09 136.94 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.12 -179.17 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.01 115.77 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . 0.907 HD12 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.907 ' O ' HD12 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -161.85 143.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -55.04 123.45 13.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.89 -179.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB1' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.81 45.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -133.53 93.09 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -133.65 148.36 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.636 ' HB1' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.38 66.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -132.78 160.11 37.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -68.89 167.13 16.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . 0.471 ' HB1' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.26 61.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.25 136.62 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -95.2 36.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.778 ' OXT' ' CB ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.778 ' CB ' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.42 154.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -174.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.499 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.419 ' OXT' ' HB1' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.09 135.28 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -115.96 137.34 52.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.05 -46.67 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.419 ' HB1' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.52 143.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -142.6 115.84 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -76.02 -68.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.694 HD13 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 m -55.57 151.88 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -158.75 -179.49 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -51.92 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.621 HD11 ' OXT' ' F' ' 42' ' ' ALA . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.73 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -134.18 -176.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -52.09 153.63 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -165.15 147.27 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.679 ' HB1' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t 60.79 61.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 51.73 44.6 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -63.64 176.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.77 ' OXT' ' HB2' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -52.32 155.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.91 108.27 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.95 153.4 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.78 99.01 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.77 ' HB2' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.989 0.423 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 t -99.58 75.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -113.26 42.04 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 56.75 36.67 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.685 ' OXT' ' HB2' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.91 38.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -136.0 171.46 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -127.41 -41.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.84 139.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -133.72 -176.28 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -116.67 -57.69 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.402 ' HA ' HG22 ' M' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.773 ' CB ' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -109.32 31.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -165.21 135.44 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -163.07 116.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . 0.975 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.975 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.7 -37.18 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -56.65 163.1 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -118.07 -69.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . 0.959 HD11 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.959 ' OXT' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -111.69 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.16 141.38 3.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.72 117.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.42 167.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -148.78 151.58 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -124.74 -67.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.833 ' OXT' ' CB ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.64 -32.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -88.11 139.36 30.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -124.86 148.35 48.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.833 ' CB ' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.82 170.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -93.88 155.71 17.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -162.36 160.37 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . 0.44 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.43 134.43 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.47 149.64 33.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.36 -46.5 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.889 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 1.075 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.09 119.87 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -54.36 159.14 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -129.02 -72.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 1.075 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.728 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -139.58 146.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -119.3 148.18 43.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -106.36 -70.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.728 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.681 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.681 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.05 150.23 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -51.8 147.62 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.16 177.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.675 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.609 HD11 ' O ' ' E' ' 42' ' ' ALA . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.609 ' O ' HD11 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -145.42 135.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m80 51.59 62.33 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -153.1 171.15 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.761 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 m -111.98 142.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -143.18 112.46 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -148.87 174.32 12.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.761 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.54 135.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -134.76 76.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -95.39 173.38 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.615 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.96 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -114.1 -55.5 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -176.47 140.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -84.5 63.3 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.615 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 m -99.17 47.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.42 149.8 30.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.0 38.08 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.83 139.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.28 156.85 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -109.75 -67.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.12 142.16 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -161.33 163.71 30.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -131.96 107.73 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.55 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 m -88.5 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -133.65 175.75 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -127.98 -71.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.55 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.59 77.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -60.2 159.79 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -148.03 66.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . 0.983 HD11 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.983 ' O ' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -101.23 147.16 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -126.47 169.92 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 95.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.653 ' OXT' ' HB1' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.957 0.408 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.0 134.39 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -85.81 -58.79 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 54.62 44.04 29.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 130.91 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -171.0 151.85 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -173.5 160.96 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.558 ' HB2' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.2 145.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.01 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -107.91 163.94 12.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . 0.5 ' HB2' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.27 174.63 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.27 149.55 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -108.97 -35.8 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.691 ' HB2' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.948 0.404 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -106.95 136.67 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -132.92 97.56 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -135.52 176.54 8.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.42 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.643 ' HB1' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.23 125.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -125.48 -36.81 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.68 47.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -83.27 119.44 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -69.26 -74.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.437 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.545 HD13 ' OXT' ' E' ' 42' ' ' ALA . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.729 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.1 -34.27 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 63.62 63.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -120.23 154.75 34.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.478 ' HA ' HG13 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.564 ' HB1' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.81 170.13 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -132.02 134.07 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.94 -175.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.537 ' HB2' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 m -124.92 66.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -138.11 156.25 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -56.67 -61.18 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.51 148.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -93.29 -45.75 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -67.91 138.69 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -135.58 101.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.6 41.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.202 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -87.64 70.54 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -119.86 -74.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.33 46.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.92 122.11 31.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -52.73 -40.3 62.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.433 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.28 -35.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.9 96.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -124.64 -173.96 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' M' ' 32' ' ' ILE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.724 ' OXT' ' HB1' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -98.83 135.69 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -141.66 145.26 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -81.07 -36.7 30.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' L' ' 32' ' ' ILE . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.724 ' HB1' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.11 36.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -90.66 138.58 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.85 110.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.797 ' OXT' ' HB2' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 57.22 65.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -144.49 119.91 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -177.59 -175.85 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.797 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.72 144.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -142.09 106.43 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 54.77 61.48 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.516 ' HB2' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.88 94.18 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -123.68 36.12 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -50.71 147.46 4.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 1.043 ' OXT' ' CB ' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.66 43.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -108.8 150.36 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -51.92 132.38 32.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . 1.043 ' CB ' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.914 0.388 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.58 -35.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -99.17 131.5 45.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.24 49.81 1.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.718 ' CD1' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.865 ' OXT' ' HB2' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 11.0 m -148.15 136.04 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.9 -179.14 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -66.64 -59.84 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.865 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.62 124.09 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -113.36 158.25 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -101.05 -75.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.69 75.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -69.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 51.33 63.56 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.512 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.31 142.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -133.21 84.12 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.77 -47.72 64.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -128.06 147.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -169.17 108.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -54.19 49.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 m -51.69 118.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.21 -177.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.71 -170.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.61 133.96 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.15 -178.5 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -128.72 154.95 45.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -131.51 107.55 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.81 91.96 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.25 -71.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -70.69 -38.77 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -165.25 141.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 57.03 36.33 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -36.69 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.834 ' OXT' ' HB2' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.9 128.2 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -128.2 118.06 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.05 -50.03 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -109.75 164.4 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -136.78 70.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -62.37 -74.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.722 ' OXT' ' HB1' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -128.89 122.71 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -145.6 139.9 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -164.35 104.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.722 ' HB1' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.61 132.99 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -61.13 165.28 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -61.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.681 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.28 109.22 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -158.15 107.93 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -151.75 162.82 40.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.681 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.51 129.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -172.31 145.5 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -58.37 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . 0.408 HD12 ' OXT' ' P' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.12 123.79 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -143.31 -178.13 5.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -52.07 156.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.969 0.414 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -140.59 143.01 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.14 137.91 45.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.792 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -132.03 36.29 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -164.25 123.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -66.73 153.24 43.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -106.33 -68.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.527 ' OXT' ' CB ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.984 0.421 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.45 135.81 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -134.71 159.3 41.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -64.45 -70.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.409 HG13 ' HA3' ' D' ' 29' ' ' GLY . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.574 ' OXT' ' CB ' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -166.61 145.41 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -75.51 -175.45 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -129.44 -70.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' F' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.574 ' CB ' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t 56.29 65.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -84.38 139.55 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -79.65 -74.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.695 HD13 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.695 ' OXT' HD13 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 6.0 p -156.52 121.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -151.77 115.73 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . . . . . . . . . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.937 0.399 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -126.22 123.54 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -54.36 142.97 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -137.64 -175.66 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' H' ' 35' ' ' MET . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.407 ' C ' ' O ' ' H' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 m -95.83 46.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -139.04 -178.31 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.27 123.38 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.817 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.9 89.78 7.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' J' ' 12' ' ' VAL . 13.2 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' J' ' 11' ' ' GLU . 27.1 m 36.9 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -55.44 138.38 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -115.97 35.26 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB1' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.935 0.398 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -112.25 152.38 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -62.35 132.51 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -119.68 -34.78 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.896 ' HB1' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -176.31 148.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 p80 39.23 39.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.65 138.0 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.841 ' OXT' ' HB1' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.14 64.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -169.85 112.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -71.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 0.841 ' HB1' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -141.94 -41.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m80 54.01 64.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.54 137.01 44.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.9 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 t 52.5 74.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -104.46 127.57 52.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -163.32 -176.13 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.793 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.9 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.55 124.41 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -56.85 132.07 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -65.89 -71.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.838 ' CB ' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.944 0.402 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 14.7 p -164.47 133.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -54.34 169.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -174.09 111.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . 0.514 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.514 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.2 103.74 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -93.19 53.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -139.67 109.38 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.88 149.76 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -115.35 108.65 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -100.03 47.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' OXT' ' HB2' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 42' ' ' ALA . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.774 ' OXT' ' HB2' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t 52.66 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.197 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -83.4 133.89 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -99.37 -74.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.429 HG13 ' HA ' ' D' ' 41' ' ' ILE . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.774 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.01 128.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.04 148.14 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.72 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.429 ' HA ' HG13 ' C' ' 41' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.534 ' OXT' ' HB2' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -167.59 136.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -73.01 168.18 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -113.42 -73.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.534 ' HB2' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -140.88 146.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.83 161.39 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -89.78 -70.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' G' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.939 0.4 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.52 114.54 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -133.75 96.31 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -147.23 160.8 42.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.678 ' OXT' ' HB2' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.82 150.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -161.24 159.24 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -97.87 -64.33 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' I' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.678 ' HB2' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t 53.83 74.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.63 -36.79 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -88.45 147.88 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -116.21 95.89 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.404 ' HA ' HG13 ' H' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.449 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.5 45.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m80 52.04 35.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -59.16 -38.17 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.57 ' OXT' ' HB2' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.69 -36.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -169.63 121.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -56.39 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' J' ' 42' ' ' ALA . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.71 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.39 -52.3 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -164.1 115.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -112.74 -74.58 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.71 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -87.5 140.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -55.37 172.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -118.9 -74.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.453 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.942 0.401 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -109.27 120.47 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -174.3 141.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -177.97 112.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.676 ' OXT' ' HB2' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -142.75 113.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -139.14 115.3 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -150.12 158.61 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB2' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.52 -43.73 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -119.08 108.6 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -58.21 -51.49 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.656 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.969 0.414 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -170.25 139.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -131.54 -176.22 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.03 167.03 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.63 -179.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -89.05 -74.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -52.54 155.5 2.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 140.36 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -60.47 130.28 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -106.34 -38.24 6.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.788 ' OXT' ' HB2' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -82.6 90.05 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -141.12 174.25 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -117.99 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.844 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -118.64 62.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.91 163.46 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.47 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.432 ' HA ' HG13 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.749 ' HB1' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.936 0.398 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.06 139.33 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -125.64 -51.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -71.15 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.86 -70.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.8 m80 55.35 56.26 6.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -105.65 150.79 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.794 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.24 165.58 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -117.27 160.0 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -159.09 139.49 12.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' H' ' 41' ' ' ILE . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.23 132.17 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -135.72 42.02 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -169.31 -176.15 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . 0.409 ' HA ' HG13 ' G' ' 41' ' ' ILE . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.928 0.394 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.17 158.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -165.92 161.1 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -89.59 144.02 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.813 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -125.37 71.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.956 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.91 -56.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -75.73 126.33 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -104.42 42.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.906 ' OXT' ' HB1' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.932 0.396 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 t -112.35 -50.45 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.97 114.94 7.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -166.89 172.36 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.938 ' OXT' ' CB ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.16 125.42 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -176.43 147.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -174.77 123.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . 0.676 ' CD1' ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 1.025 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.4 -36.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -103.27 126.4 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.61 -66.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 1.025 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -125.7 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -139.97 133.8 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.13 103.52 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.883 ' HB2' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.31 45.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.83 130.4 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -115.57 -59.06 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.744 ' HB1' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -102.14 135.69 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.67 157.12 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -170.45 112.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.716 ' HB1' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.08 156.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -152.32 -178.17 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -111.87 168.7 9.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB1' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.71 70.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -173.01 147.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -60.22 149.01 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . 0.738 ' HB1' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.8 96.63 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -108.96 115.08 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -123.56 40.13 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.589 ' OXT' ' CB ' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' C' ' 20' ' ' PHE . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.634 ' OXT' ' HB1' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.5 m -151.1 124.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -179.4 -176.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -52.08 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' B' ' 20' ' ' PHE . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.665 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.44 144.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -110.07 -35.96 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.05 -76.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.665 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.56 126.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.74 -68.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -117.17 -76.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ILE . . . . . 0.923 HD13 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' ALA . . . . . 0.923 ' O ' HD13 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.21 148.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -114.32 156.96 23.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.26 -75.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.803 HD12 ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.839 ' OXT' ' HB1' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.73 117.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -143.45 159.48 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -119.06 -74.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 41' ' ' ILE . . . . . 0.851 ' CD1' ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 42' ' ' ALA . . . . . 0.851 ' O ' ' CD1' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 m -114.72 -35.34 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -146.07 138.05 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 179.85 -179.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.745 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.604 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.914 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -100.4 127.94 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.99 146.32 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -116.91 162.31 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -82.68 112.17 19.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.445 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 42' ' ' ALA . . . . . 0.445 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.74 145.6 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -99.58 62.99 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -109.28 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.655 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.42 36.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -95.84 125.61 40.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -175.04 139.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 42' ' ' ALA . . . . . 0.655 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.27 124.59 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -138.79 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.93 -66.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.637 ' OXT' ' HB2' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.23 131.02 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -172.65 116.8 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -74.02 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 42' ' ' ALA . . . . . 1.158 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.72 145.03 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -90.22 117.39 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 -70.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 1.158 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -125.03 -42.84 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -156.85 -177.93 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.33 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 42' ' ' ALA . . . . . 0.8 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.12 41.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.32 115.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -153.58 121.47 6.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.787 ' CB ' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.26 -37.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.92 131.37 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -114.31 -66.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 41' ' ' ILE . . . . . 0.797 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 42' ' ' ALA . . . . . 0.797 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.32 155.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.63 171.18 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -151.1 120.48 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG23 HG12 ' B' ' 18' ' ' VAL . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HD13 ' A' ' 32' ' ' ILE . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' B' ' 24' ' ' VAL . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' HB2' HG21 ' A' ' 24' ' ' VAL . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HE2' ' A' ' 20' ' ' PHE . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' B' ' 31' ' ' ILE . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' B' ' 32' ' ' ILE . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD22 ' J' ' 17' ' ' LEU . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' B' ' 40' ' ' VAL . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.05 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' C' ' 17' ' ' LEU . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 18' ' ' VAL . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.676 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 24' ' ' VAL . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.54 ' HB3' HG11 ' B' ' 24' ' ' VAL . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.946 HD13 HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' A' ' 32' ' ' ILE . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.528 HD23 ' CD1' ' A' ' 34' ' ' LEU . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' C' ' 36' ' ' VAL . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.849 HG11 HG21 ' B' ' 31' ' ' ILE . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' A' ' 40' ' ' VAL . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.505 HG21 ' HA2' ' C' ' 29' ' ' GLY . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 1.05 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 49.7 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.704 0.288 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.851 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 18' ' ' VAL . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.553 ' HA3' HG23 ' C' ' 41' ' ' ILE . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.686 ' CG2' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.851 HD11 HD11 ' C' ' 17' ' ' LEU . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.7 HD22 HD13 ' D' ' 34' ' ' LEU . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.718 HG12 HG22 ' B' ' 36' ' ' VAL . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.9 HG11 HD13 ' D' ' 31' ' ' ILE . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' D' ' 40' ' ' VAL . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.841 HG21 ' HA2' ' D' ' 29' ' ' GLY . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.787 0.327 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.718 HG12 ' CG2' ' C' ' 18' ' ' VAL . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.591 HG11 ' OD1' ' D' ' 27' ' ' ASN . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.591 ' OD1' HG11 ' D' ' 24' ' ' VAL . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.841 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.9 HD13 HG11 ' C' ' 39' ' ' VAL . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.831 HG21 HD12 ' C' ' 32' ' ' ILE . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' C' ' 34' ' ' LEU . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.672 ' HE1' ' HB2' ' M' ' 17' ' ' LEU . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' E' ' 36' ' ' VAL . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.787 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.706 HG12 HG22 ' E' ' 40' ' ' VAL . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' C' ' 41' ' ' ILE . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.83 HD11 HD11 ' E' ' 32' ' ' ILE . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' E' ' 21' ' ' ALA . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.571 ' CD2' HG21 ' E' ' 24' ' ' VAL . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' E' ' 18' ' ' VAL . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.53 ' O ' HG23 ' E' ' 24' ' ' VAL . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' E' ' 20' ' ' PHE . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.644 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.768 HD12 HD11 ' E' ' 41' ' ' ILE . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.83 HD11 HD11 ' E' ' 17' ' ' LEU . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.56 ' SD ' HD23 ' N' ' 17' ' ' LEU . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.984 HG12 HG22 ' D' ' 36' ' ' VAL . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.787 HG23 HG13 ' D' ' 39' ' ' VAL . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.706 HG22 HG12 ' D' ' 40' ' ' VAL . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.768 HD11 HD12 ' E' ' 31' ' ' ILE . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.486 ' OXT' ' HE2' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 m170 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.555 HD12 ' SD ' ' O' ' 35' ' ' MET . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.717 ' O ' HG23 ' F' ' 24' ' ' VAL . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.717 HG23 ' O ' ' F' ' 22' ' ' GLU . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.486 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.477 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG21 ' F' ' 39' ' ' VAL . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' G' ' 32' ' ' ILE . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.407 ' HG3' HD21 ' O' ' 34' ' ' LEU . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.959 HG23 HG23 ' E' ' 36' ' ' VAL . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.759 HG21 HG21 ' F' ' 31' ' ' ILE . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.717 ' CD1' HD12 ' E' ' 41' ' ' ILE . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.598 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.719 0.295 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.447 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' G' ' 22' ' ' GLU . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.598 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.692 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' F' ' 31' ' ' ILE . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' Q' ' 35' ' ' MET . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.472 ' CB ' HD21 ' P' ' 34' ' ' LEU . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.861 HG22 HG12 ' H' ' 36' ' ' VAL . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.732 HG23 HG13 ' H' ' 39' ' ' VAL . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.818 HD12 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.818 ' OXT' HD12 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.824 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.528 ' O ' HG23 ' H' ' 24' ' ' VAL . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.649 HG11 ' OD1' ' H' ' 27' ' ' ASN . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.649 ' OD1' HG11 ' H' ' 24' ' ' VAL . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.49 ' HA3' HG23 ' H' ' 41' ' ' ILE . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.754 HG21 HD12 ' I' ' 31' ' ' ILE . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.815 HD12 HG21 ' I' ' 32' ' ' ILE . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' Q' ' 34' ' ' LEU . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.637 ' HG3' HD11 ' Q' ' 34' ' ' LEU . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.861 HG12 HG22 ' G' ' 36' ' ' VAL . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.732 HG13 HG23 ' G' ' 39' ' ' VAL . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.502 HG21 ' HA2' ' I' ' 29' ' ' GLY . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.832 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' H' ' 17' ' ' LEU . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.426 ' HA ' HG13 ' H' ' 18' ' ' VAL . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD12 ' I' ' 32' ' ' ILE . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.502 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' H' ' 31' ' ' ILE . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.815 HG21 HD12 ' H' ' 32' ' ' ILE . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.432 HD23 HD22 ' H' ' 34' ' ' LEU . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' H' ' 36' ' ' VAL . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.832 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 35' ' ' MET . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' J' ' 27' ' ' ASN . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' J' ' 24' ' ' VAL . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.424 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.584 HD12 HD12 ' K' ' 34' ' ' LEU . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.632 HG11 HD12 ' K' ' 31' ' ' ILE . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.625 HG23 HG13 ' K' ' 40' ' ' VAL . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' K' ' 41' ' ' ILE . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 1.262 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.626 HG13 HG23 ' L' ' 18' ' ' VAL . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.682 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . 0.513 ' HE2' HG13 ' K' ' 24' ' ' VAL . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' L' ' 22' ' ' GLU . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.513 HG13 ' HE2' ' K' ' 20' ' ' PHE . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' K' ' 41' ' ' ILE . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.915 HG21 HG11 ' K' ' 39' ' ' VAL . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' L' ' 32' ' ' ILE . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.617 ' CD2' HD23 ' L' ' 34' ' ' LEU . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.915 HG11 HG21 ' K' ' 31' ' ' ILE . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.637 HG23 HG13 ' L' ' 40' ' ' VAL . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' K' ' 29' ' ' GLY . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 1.262 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.626 HG23 HG13 ' K' ' 18' ' ' VAL . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.59 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . 0.449 ' N ' ' HB3' ' K' ' 21' ' ' ALA . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.698 ' HA ' HG12 ' M' ' 24' ' ' VAL . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.777 HG23 HG23 ' K' ' 31' ' ' ILE . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.791 HG21 HD12 ' K' ' 32' ' ' ILE . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.949 HD12 HD22 ' M' ' 34' ' ' LEU . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.468 ' CE ' HD23 ' B' ' 17' ' ' LEU . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.822 HG22 HG12 ' M' ' 39' ' ' VAL . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.645 HG23 HG13 ' M' ' 40' ' ' VAL . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.792 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.436 ' HA ' HG13 ' L' ' 18' ' ' VAL . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' L' ' 24' ' ' VAL . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.659 HD12 HG21 ' N' ' 32' ' ' ILE . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.949 HD22 HD12 ' L' ' 34' ' ' LEU . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.739 ' CE ' HD23 ' C' ' 17' ' ' LEU . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.761 HG22 HG12 ' N' ' 36' ' ' VAL . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.822 HG12 HG22 ' L' ' 39' ' ' VAL . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.645 HG13 HG23 ' L' ' 40' ' ' VAL . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 1.001 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' E' ' 35' ' ' MET . 41.2 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.595 ' HE1' HG11 ' O' ' 24' ' ' VAL . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.533 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.451 HG13 HD11 ' N' ' 41' ' ' ILE . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.659 HG21 HD12 ' M' ' 32' ' ' ILE . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.499 ' HB3' HD21 ' D' ' 34' ' ' LEU . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.761 HG12 HG22 ' M' ' 36' ' ' VAL . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' O' ' 39' ' ' VAL . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.779 HG23 HG13 ' O' ' 40' ' ' VAL . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.451 HD11 HG13 ' N' ' 31' ' ' ILE . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 1.001 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.612 ' HB2' HD12 ' O' ' 32' ' ' ILE . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.61 ' CE2' HG13 ' O' ' 24' ' ' VAL . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.533 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' HB1' ' N' ' 21' ' ' ALA . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' O' ' 20' ' ' PHE . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.664 HG12 HD11 ' O' ' 41' ' ' ILE . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' O' ' 19' ' ' PHE . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' E' ' 35' ' ' MET . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.82 ' HE1' HD23 ' E' ' 17' ' ' LEU . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.604 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' N' ' 39' ' ' VAL . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.779 HG13 HG23 ' N' ' 40' ' ' VAL . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.664 HD11 HG12 ' O' ' 31' ' ' ILE . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.623 HG13 HG23 ' Q' ' 18' ' ' VAL . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' P' ' 32' ' ' ILE . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.542 ' CE1' HG21 ' Q' ' 24' ' ' VAL . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' Q' ' 22' ' ' GLU . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.692 ' HA ' HG22 ' Q' ' 24' ' ' VAL . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' P' ' 19' ' ' PHE . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' G' ' 35' ' ' MET . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HE1' ' Q' ' 35' ' ' MET . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' Q' ' 36' ' ' VAL . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.719 HG12 ' CG1' ' O' ' 39' ' ' VAL . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.556 HG23 HG13 ' Q' ' 40' ' ' VAL . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' Q' ' 41' ' ' ILE . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.819 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.623 HG23 HG13 ' P' ' 18' ' ' VAL . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . 0.533 ' N ' ' HB3' ' P' ' 21' ' ' ALA . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.692 HG22 ' HA ' ' P' ' 24' ' ' VAL . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' Q' ' 19' ' ' PHE . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' R' ' 31' ' ' ILE . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.67 HD12 HG21 ' R' ' 32' ' ' ILE . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' H' ' 34' ' ' LEU . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.52 ' SD ' HD11 ' G' ' 34' ' ' LEU . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' P' ' 36' ' ' VAL . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.604 HG11 HG21 ' Q' ' 31' ' ' ILE . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.633 HG23 HG13 ' R' ' 40' ' ' VAL . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' P' ' 41' ' ' ILE . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.819 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.705 0.288 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' R' ' 18' ' ' VAL . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.595 HG23 HG13 ' Q' ' 18' ' ' VAL . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.64 ' HD2' HD13 ' R' ' 32' ' ' ILE . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' R' ' 30' ' ' ALA . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 29' ' ' GLY . . . . . 0.423 ' O ' HD12 ' R' ' 41' ' ' ILE . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 30' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' R' ' 27' ' ' ASN . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' Q' ' 31' ' ' ILE . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.67 HG21 HD12 ' Q' ' 32' ' ' ILE . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.73 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.633 HG13 HG23 ' Q' ' 40' ' ' VAL . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.423 HD12 ' O ' ' R' ' 29' ' ' GLY . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HE2' ' A' ' 19' ' ' PHE . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 31' ' ' ILE . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 17' ' ' LEU . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' B' ' 34' ' ' LEU . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 36' ' ' VAL . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.821 HG23 HG23 ' B' ' 39' ' ' VAL . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG23 HG13 ' B' ' 40' ' ' VAL . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.948 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.628 HG23 ' HD3' ' B' ' 16' ' ' LYS . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD3' HG23 ' B' ' 12' ' ' VAL . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.862 HD11 HD11 ' B' ' 32' ' ' ILE . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' B' ' 32' ' ' ILE . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.638 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.423 HD12 ' HB ' ' A' ' 31' ' ' ILE . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.886 HD12 HG21 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.43 ' O ' HG12 ' B' ' 36' ' ' VAL . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' K' ' 34' ' ' LEU . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.425 ' HB2' HD21 ' K' ' 34' ' ' LEU . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.941 HG13 HG23 ' C' ' 39' ' ' VAL . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.601 HG13 HG23 ' A' ' 40' ' ' VAL . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 41' ' ' ILE . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.948 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.747 0.308 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.831 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.495 ' HE1' ' HB1' ' C' ' 30' ' ' ALA . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' D' ' 24' ' ' VAL . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' B' ' 20' ' ' PHE . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' C' ' 41' ' ' ILE . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.498 ' CA ' HD13 ' C' ' 41' ' ' ILE . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' HE1' ' C' ' 19' ' ' PHE . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.886 HG21 HD12 ' B' ' 32' ' ' ILE . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' L' ' 34' ' ' LEU . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.643 ' HB2' HD21 ' L' ' 34' ' ' LEU . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' D' ' 36' ' ' VAL . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.941 HG23 HG13 ' B' ' 39' ' ' VAL . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' D' ' 40' ' ' VAL . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.702 HD12 ' N ' ' C' ' 42' ' ' ALA . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.732 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.686 HG12 HG12 ' E' ' 18' ' ' VAL . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' D' ' 24' ' ' VAL . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.471 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' D' ' 20' ' ' PHE . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.501 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.501 HD13 ' O ' ' D' ' 30' ' ' ALA . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.464 HD12 ' N ' ' D' ' 33' ' ' GLY . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.464 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' C' ' 36' ' ' VAL . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.868 HG22 HG12 ' E' ' 39' ' ' VAL . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.66 HG13 HG23 ' C' ' 40' ' ' VAL . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.775 HG21 ' HA2' ' E' ' 29' ' ' GLY . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.516 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.701 HG22 HG12 ' F' ' 18' ' ' VAL . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.429 ' HE2' HG21 ' F' ' 24' ' ' VAL . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' D' ' 20' ' ' PHE . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' E' ' 30' ' ' ALA . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.775 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' OD1' ' E' ' 27' ' ' ASN . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.772 HG21 HD12 ' F' ' 31' ' ' ILE . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.464 HG12 HD13 ' D' ' 32' ' ' ILE . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' F' ' 34' ' ' LEU . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.458 ' CB ' HD21 ' N' ' 34' ' ' LEU . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.89 HG12 HG12 ' D' ' 36' ' ' VAL . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.868 HG12 HG22 ' D' ' 39' ' ' VAL . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.56 HG22 HD12 ' D' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.328 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' G' ' 18' ' ' VAL . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' F' ' 32' ' ' ILE . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.476 HG22 ' CE2' ' F' ' 20' ' ' PHE . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.537 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.83 HG21 HD12 ' G' ' 31' ' ' ILE . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.452 HD12 ' HD2' ' F' ' 19' ' ' PHE . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.583 ' O ' HD12 ' F' ' 34' ' ' LEU . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' E' ' 34' ' ' LEU . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.738 HG23 HG23 ' E' ' 36' ' ' VAL . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.734 HG11 ' CD1' ' G' ' 31' ' ' ILE . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.664 HG21 ' HA2' ' G' ' 29' ' ' GLY . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.641 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.684 0.278 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.721 HG12 HG22 ' F' ' 18' ' ' VAL . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' G' ' 32' ' ' ILE . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.606 ' HE1' HG21 ' H' ' 24' ' ' VAL . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.408 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.73 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.744 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.73 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.83 HD12 HG21 ' F' ' 31' ' ' ILE . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.704 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' H' ' 34' ' ' LEU . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.556 ' SD ' HD23 ' P' ' 17' ' ' LEU . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' H' ' 36' ' ' VAL . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' H' ' 39' ' ' VAL . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.744 HG23 ' HA3' ' G' ' 29' ' ' GLY . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.71 0.29 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.748 ' HB3' HD22 ' G' ' 17' ' ' LEU . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.681 HG22 HG22 ' G' ' 18' ' ' VAL . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' I' ' 24' ' ' VAL . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.606 HG21 ' HE1' ' G' ' 20' ' ' PHE . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.737 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.633 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.724 HG12 HG21 ' H' ' 39' ' ' VAL . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.704 HG21 HD12 ' G' ' 32' ' ' ILE . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' R' ' 35' ' ' MET . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' G' ' 36' ' ' VAL . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.88 HG12 HG22 ' I' ' 39' ' ' VAL . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' I' ' 40' ' ' VAL . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.834 HG21 ' HA2' ' I' ' 29' ' ' GLY . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' I' ' 32' ' ' ILE . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.693 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.834 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.693 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.575 HD11 HG12 ' I' ' 41' ' ' ILE . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.47 HD11 HD12 ' I' ' 17' ' ' LEU . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.549 ' SD ' HD23 ' R' ' 17' ' ' LEU . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' I' ' 39' ' ' VAL . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.88 HG22 HG12 ' H' ' 39' ' ' VAL . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' H' ' 40' ' ' VAL . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.575 HG12 HD11 ' I' ' 31' ' ' ILE . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.689 0.281 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' O ' ' J' ' 17' ' ' LEU . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' K' ' 32' ' ' ILE . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' K' ' 24' ' ' VAL . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' K' ' 32' ' ' ILE . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' K' ' 34' ' ' LEU . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.505 HG22 HG12 ' K' ' 36' ' ' VAL . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.407 ' HB ' HG22 ' K' ' 39' ' ' VAL . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.593 HG23 HG13 ' K' ' 40' ' ' VAL . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.7 HG22 HG22 ' K' ' 41' ' ' ILE . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 1.04 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.734 0.302 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.411 HD23 ' N ' ' K' ' 18' ' ' VAL . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.411 ' N ' HD23 ' K' ' 17' ' ' LEU . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' K' ' 24' ' ' VAL . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' J' ' 24' ' ' VAL . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 1.04 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 1.115 HD11 HG21 ' K' ' 41' ' ' ILE . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' J' ' 19' ' ' PHE . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' B' ' 34' ' ' LEU . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.645 ' SD ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.627 HG22 HG12 ' L' ' 36' ' ' VAL . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.594 HG11 HD12 ' L' ' 31' ' ' ILE . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.593 HG13 HG23 ' J' ' 40' ' ' VAL . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 1.115 HG21 HD11 ' K' ' 31' ' ' ILE . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.921 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 1.002 HG21 ' HB2' ' L' ' 21' ' ' ALA . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' L' ' 24' ' ' VAL . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 1.002 ' HB2' HG21 ' L' ' 18' ' ' VAL . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.612 HG22 ' CE2' ' L' ' 20' ' ' PHE . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.439 ' HB2' HG11 ' L' ' 24' ' ' VAL . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' K' ' 41' ' ' ILE . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.405 ' O ' HD12 ' K' ' 31' ' ' ILE . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.594 HD12 HG11 ' K' ' 39' ' ' VAL . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.65 HD12 HG21 ' M' ' 32' ' ' ILE . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' M' ' 34' ' ' LEU . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' M' ' 36' ' ' VAL . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.563 HG11 HG21 ' L' ' 31' ' ' ILE . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 HG22 ' M' ' 40' ' ' VAL . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.699 ' HB ' HG22 ' M' ' 41' ' ' ILE . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.942 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.765 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.658 HG23 HG13 ' L' ' 18' ' ' VAL . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 20' ' ' PHE . . . . . 0.583 ' HE1' HG21 ' N' ' 24' ' ' VAL . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' M' ' 18' ' ' VAL . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.612 HD13 ' CG1' ' M' ' 39' ' ' VAL . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.802 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' L' ' 34' ' ' LEU . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.574 ' SD ' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' L' ' 36' ' ' VAL . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' M' ' 31' ' ' ILE . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.768 HG12 HG22 ' N' ' 40' ' ' VAL . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.699 HG22 ' HB ' ' L' ' 41' ' ' ILE . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.942 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' O' ' 18' ' ' VAL . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.435 ' HB2' HG21 ' N' ' 18' ' ' VAL . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' O' ' 24' ' ' VAL . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.802 HG21 HD12 ' M' ' 32' ' ' ILE . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' M' ' 34' ' ' LEU . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.672 ' CG1' HG12 ' O' ' 36' ' ' VAL . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.812 HG22 HG12 ' O' ' 39' ' ' VAL . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.768 HG22 HG12 ' M' ' 40' ' ' VAL . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.602 HG12 HD11 ' M' ' 41' ' ' ILE . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' N' ' 18' ' ' VAL . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' O' ' 32' ' ' ILE . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' O' ' 27' ' ' ASN . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.674 ' HB2' HG11 ' O' ' 18' ' ' VAL . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' N' ' 24' ' ' VAL . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.425 HD22 ' HE1' ' O' ' 20' ' ' PHE . 0.4 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.793 HG21 HD12 ' N' ' 32' ' ' ILE . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' P' ' 34' ' ' LEU . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.667 ' HG2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' P' ' 36' ' ' VAL . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.812 HG12 HG22 ' N' ' 39' ' ' VAL . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.738 ' CG1' HG12 ' N' ' 40' ' ' VAL . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 1.111 HD13 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 1.111 ' O ' HD13 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' P' ' 21' ' ' ALA . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' P' ' 32' ' ' ILE . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.405 ' O ' HG23 ' P' ' 24' ' ' VAL . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' P' ' 22' ' ' GLU . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' P' ' 41' ' ' ILE . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.64 HD13 ' CD1' ' Q' ' 31' ' ' ILE . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.663 HD12 HG21 ' Q' ' 32' ' ' ILE . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.453 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' F' ' 34' ' ' LEU . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' Q' ' 36' ' ' VAL . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.65 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.722 HG12 ' CG1' ' Q' ' 40' ' ' VAL . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.747 HD11 HD11 ' Q' ' 31' ' ' ILE . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.409 ' N ' HD23 ' Q' ' 17' ' ' LEU . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . 0.521 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.584 HG13 HG23 ' R' ' 24' ' ' VAL . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' P' ' 41' ' ' ILE . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.747 HD11 HD11 ' P' ' 41' ' ' ILE . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.663 HG21 HD12 ' P' ' 32' ' ' ILE . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . 0.631 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.728 HD22 HD12 ' R' ' 34' ' ' LEU . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.652 ' CE ' HD23 ' H' ' 17' ' ' LEU . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.742 HG12 HG22 ' P' ' 36' ' ' VAL . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.692 HG22 HG12 ' R' ' 39' ' ' VAL . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.722 ' CG1' HG12 ' P' ' 40' ' ' VAL . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' R' ' 29' ' ' GLY . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.626 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' I' ' 35' ' ' MET . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' R' ' 21' ' ' ALA . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.406 ' CZ ' ' HB1' ' R' ' 30' ' ' ALA . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' R' ' 18' ' ' VAL . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.584 HG23 HG13 ' Q' ' 24' ' ' VAL . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 29' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' R' ' 19' ' ' PHE . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.686 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.728 HD12 HD22 ' Q' ' 34' ' ' LEU . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.6 ' HB2' HD11 ' H' ' 34' ' ' LEU . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.644 HG23 HG23 ' Q' ' 36' ' ' VAL . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.692 HG12 HG22 ' Q' ' 39' ' ' VAL . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' Q' ' 40' ' ' VAL . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' Q' ' 41' ' ' ILE . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.561 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' B' ' 17' ' ' LEU . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' B' ' 18' ' ' VAL . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.733 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' A' ' 20' ' ' PHE . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 42' ' ' ALA . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.702 HG21 HD12 ' B' ' 31' ' ' ILE . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 34' ' ' LEU . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' B' ' 34' ' ' LEU . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.455 ' SD ' HD21 ' K' ' 17' ' ' LEU . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 36' ' ' VAL . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.044 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 HG13 ' B' ' 40' ' ' VAL . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.284 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 18' ' ' VAL . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 1.044 HD13 HG11 ' A' ' 39' ' ' VAL . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 34' ' ' LEU . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 36' ' ' VAL . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.756 HG13 HG13 ' A' ' 39' ' ' VAL . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.547 HG23 HG23 ' C' ' 40' ' ' VAL . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.743 HD12 ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 1.284 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.508 HG13 HG13 ' B' ' 18' ' ' VAL . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.516 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.886 HD12 HD11 ' C' ' 41' ' ' ILE . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.796 HG21 HD12 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' D' ' 34' ' ' LEU . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.538 HG13 HG23 ' B' ' 36' ' ' VAL . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.781 HG11 HD13 ' C' ' 31' ' ' ILE . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.726 HG12 ' CG1' ' D' ' 40' ' ' VAL . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.886 HD11 HD12 ' C' ' 31' ' ' ILE . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.686 0.279 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.509 HE22 HD23 ' D' ' 17' ' ' LEU . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' D' ' 32' ' ' ILE . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' D' ' 19' ' ' PHE . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.855 HG21 HG21 ' D' ' 39' ' ' VAL . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' E' ' 32' ' ' ILE . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' C' ' 34' ' ' LEU . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.428 ' SD ' HD12 ' M' ' 17' ' ' LEU . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 31' ' ' ILE . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.726 ' CG1' HG12 ' C' ' 40' ' ' VAL . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.671 ' CD1' HD12 ' C' ' 41' ' ' ILE . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.873 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 44.6 m80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.836 HD11 HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.891 HG21 HG21 ' E' ' 39' ' ' VAL . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' D' ' 32' ' ' ILE . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' D' ' 34' ' ' LEU . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.891 HG21 HG21 ' E' ' 31' ' ' ILE . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.51 HG23 HG13 ' F' ' 40' ' ' VAL . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.674 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.873 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' F' ' 24' ' ' VAL . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.442 HG21 ' CE2' ' F' ' 20' ' ' PHE . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.435 HD11 HG22 ' F' ' 41' ' ' ILE . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' E' ' 32' ' ' ILE . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.458 ' HG3' HD11 ' O' ' 34' ' ' LEU . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.682 HG12 ' CG1' ' E' ' 39' ' ' VAL . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.76 HG23 HG13 ' G' ' 40' ' ' VAL . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.949 HD11 HG23 ' G' ' 41' ' ' ILE . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 1.009 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.599 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.537 HD21 ' HB2' ' G' ' 30' ' ' ALA . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.688 HD12 HD11 ' G' ' 41' ' ' ILE . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.677 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' F' ' 34' ' ' LEU . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.646 HG23 HG23 ' F' ' 39' ' ' VAL . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.76 HG13 HG23 ' F' ' 40' ' ' VAL . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.949 HG23 HD11 ' F' ' 41' ' ' ILE . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 1.009 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' H' ' 27' ' ' ASN . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.576 ' HB2' HG11 ' H' ' 24' ' ' VAL . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.513 HG21 HG21 ' H' ' 39' ' ' VAL . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.677 HG21 HD12 ' G' ' 32' ' ' ILE . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.662 HD22 HD12 ' I' ' 34' ' ' LEU . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.557 HG13 HG23 ' I' ' 39' ' ' VAL . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' I' ' 40' ' ' VAL . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.615 HG22 HG22 ' I' ' 41' ' ' ILE . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 1.176 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.683 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.698 HG21 HG21 ' I' ' 39' ' ' VAL . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.415 HG21 HD12 ' H' ' 32' ' ' ILE . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.662 HD12 HD22 ' H' ' 34' ' ' LEU . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.665 ' HG3' HD11 ' R' ' 34' ' ' LEU . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.698 HG21 HG21 ' I' ' 31' ' ' ILE . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' H' ' 40' ' ' VAL . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.678 HD12 ' OXT' ' I' ' 42' ' ' ALA . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 1.176 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.918 HD12 HD11 ' K' ' 17' ' ' LEU . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.669 HG13 HG23 ' K' ' 18' ' ' VAL . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' K' ' 32' ' ' ILE . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.466 HD12 ' HD2' ' J' ' 19' ' ' PHE . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.582 HD23 ' HG ' ' K' ' 34' ' ' LEU . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.453 ' H ' HG12 ' K' ' 36' ' ' VAL . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.77 HG11 HG13 ' K' ' 31' ' ' ILE . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 HG13 ' K' ' 40' ' ' VAL . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.809 HG21 ' HA2' ' K' ' 29' ' ' GLY . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.84 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m170 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.918 HD11 HD12 ' J' ' 17' ' ' LEU . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.694 ' CG1' HG12 ' L' ' 18' ' ' VAL . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.569 ' HE1' ' HB1' ' K' ' 30' ' ' ALA . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' K' ' 24' ' ' VAL . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' K' ' 20' ' ' PHE . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.809 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.569 ' HB1' ' HE1' ' K' ' 19' ' ' PHE . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.77 HG13 HG11 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.582 HG23 ' CG2' ' L' ' 32' ' ' ILE . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.61 ' O ' HG13 ' K' ' 36' ' ' VAL . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' L' ' 34' ' ' LEU . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.61 HG13 ' O ' ' K' ' 33' ' ' GLY . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.529 HG11 HG21 ' K' ' 31' ' ' ILE . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.586 HG13 HG23 ' J' ' 40' ' ' VAL . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.407 HG23 ' HA3' ' K' ' 29' ' ' GLY . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.925 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m170 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.744 0.306 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.498 ' C ' HD13 ' L' ' 17' ' ' LEU . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG1' ' K' ' 18' ' ' VAL . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.507 ' CG2' HG13 ' K' ' 24' ' ' VAL . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.736 HG23 HG23 ' K' ' 31' ' ' ILE . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' K' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.456 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.879 HD12 HD22 ' K' ' 34' ' ' LEU . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.489 ' HB2' HD11 ' C' ' 34' ' ' LEU . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.558 HG22 HG12 ' M' ' 36' ' ' VAL . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' M' ' 39' ' ' VAL . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.75 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.421 HD11 HG13 ' L' ' 31' ' ' ILE . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.975 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.714 0.292 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' M' ' 18' ' ' VAL . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.626 ' CG1' HG22 ' N' ' 18' ' ' VAL . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.422 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 20' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' M' ' 24' ' ' VAL . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' M' ' 20' ' ' PHE . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.521 HD13 HG12 ' N' ' 31' ' ' ILE . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.521 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' L' ' 34' ' ' LEU . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.662 ' HE1' HD23 ' C' ' 17' ' ' LEU . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.558 HG12 HG22 ' L' ' 36' ' ' VAL . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' L' ' 39' ' ' VAL . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.75 HG13 HG23 ' L' ' 40' ' ' VAL . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 1.181 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 1.181 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.709 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.438 HD23 ' N ' ' N' ' 18' ' ' VAL . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.626 HG22 ' CG1' ' M' ' 18' ' ' VAL . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.531 ' HB3' HG11 ' N' ' 24' ' ' VAL . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.531 HG11 ' HB3' ' N' ' 20' ' ' PHE . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.521 HG12 HD13 ' M' ' 31' ' ' ILE . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.54 HD12 HG21 ' O' ' 32' ' ' ILE . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.57 ' O ' HG13 ' N' ' 36' ' ' VAL . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.546 HD23 HD12 ' M' ' 34' ' ' LEU . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.418 ' HE1' HE22 ' D' ' 15' ' ' GLN . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' N' ' 33' ' ' GLY . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.51 HG13 HD13 ' N' ' 31' ' ' ILE . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' M' ' 40' ' ' VAL . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.888 HD12 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.888 ' OXT' HD12 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.725 0.298 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.433 HD23 ' N ' ' O' ' 18' ' ' VAL . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.433 ' N ' HD23 ' O' ' 17' ' ' LEU . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' O' ' 30' ' ' ALA . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.524 ' O ' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.945 HG13 HG23 ' P' ' 24' ' ' VAL . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.4 ' HB2' HG11 ' O' ' 24' ' ' VAL . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' O' ' 19' ' ' PHE . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.434 HG12 HD11 ' O' ' 41' ' ' ILE . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.54 HG21 HD12 ' N' ' 32' ' ' ILE . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.575 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.611 HD13 ' H ' ' P' ' 34' ' ' LEU . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.643 HG23 HG23 ' P' ' 36' ' ' VAL . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.597 HG13 HG23 ' N' ' 40' ' ' VAL . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.579 HG23 HD11 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.445 ' HB2' ' HE1' ' F' ' 35' ' ' MET . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' P' ' 21' ' ' ALA . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.447 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.945 HG23 HG13 ' O' ' 24' ' ' VAL . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 HD11 ' P' ' 41' ' ' ILE . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.55 HD12 HG21 ' Q' ' 32' ' ' ILE . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.611 ' H ' HD13 ' O' ' 34' ' ' LEU . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.689 HG13 HG23 ' Q' ' 36' ' ' VAL . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.509 HG13 HD13 ' P' ' 31' ' ' ILE . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.602 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' Q' ' 41' ' ' ILE . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.744 0.307 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.714 ' HB ' HG12 ' R' ' 18' ' ' VAL . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . 0.437 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' Q' ' 22' ' ' GLU . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . 0.644 ' HA3' HG21 ' Q' ' 41' ' ' ILE . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.488 HD12 HD11 ' Q' ' 41' ' ' ILE . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.55 HG21 HD12 ' P' ' 32' ' ' ILE . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.818 HD22 HD12 ' R' ' 34' ' ' LEU . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.829 HG13 HG23 ' R' ' 36' ' ' VAL . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.499 ' HB ' HG12 ' R' ' 39' ' ' VAL . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.602 HG13 HG23 ' P' ' 40' ' ' VAL . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.644 HG21 ' HA3' ' Q' ' 29' ' ' GLY . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.714 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' R' ' 32' ' ' ILE . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 22' ' ' GLU . . . . . 0.63 ' O ' HG23 ' R' ' 24' ' ' VAL . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.63 HG23 ' O ' ' R' ' 22' ' ' GLU . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.451 HD11 HG11 ' Q' ' 36' ' ' VAL . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.789 HD13 ' CE2' ' R' ' 19' ' ' PHE . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.818 HD12 HD22 ' Q' ' 34' ' ' LEU . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' I' ' 17' ' ' LEU . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.829 HG23 HG13 ' Q' ' 36' ' ' VAL . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.516 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.65 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.713 0.292 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' K' ' 35' ' ' MET . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' K' ' 35' ' ' MET . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 32' ' ' ILE . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.939 HD11 HG21 ' A' ' 41' ' ' ILE . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 19' ' ' PHE . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 HD12 ' B' ' 34' ' ' LEU . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.977 HG13 HG23 ' B' ' 36' ' ' VAL . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' HG22 ' B' ' 39' ' ' VAL . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG23 HG13 ' B' ' 40' ' ' VAL . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.939 HG21 HD11 ' A' ' 31' ' ' ILE . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.878 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.958 HD22 HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.637 ' HB ' HG13 ' C' ' 18' ' ' VAL . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.878 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.595 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' C' ' 31' ' ' ILE . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.651 HG23 HG23 ' C' ' 32' ' ' ILE . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 34' ' ' LEU . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.977 HG23 HG13 ' A' ' 36' ' ' VAL . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.564 HG22 ' CG1' ' A' ' 39' ' ' VAL . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 40' ' ' VAL . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.759 HG13 HG22 ' C' ' 41' ' ' ILE . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 1.096 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.958 HD12 HD22 ' B' ' 17' ' ' LEU . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.637 HG13 ' HB ' ' B' ' 18' ' ' VAL . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.475 ' HE1' HG11 ' D' ' 24' ' ' VAL . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' D' ' 24' ' ' VAL . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 1.096 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.73 HG21 HG21 ' C' ' 39' ' ' VAL . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.765 HD11 HD11 ' C' ' 17' ' ' LEU . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.575 ' SD ' HD23 ' L' ' 17' ' ' LEU . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' D' ' 36' ' ' VAL . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.73 HG21 HG21 ' C' ' 31' ' ' ILE . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' D' ' 40' ' ' VAL . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.759 HG22 HG13 ' B' ' 41' ' ' ILE . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.719 ' CD1' HD11 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' C' ' 24' ' ' VAL . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.729 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' D' ' 41' ' ' ILE . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.956 HG21 HG11 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' D' ' 17' ' ' LEU . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.578 HD22 ' HG ' ' E' ' 34' ' ' LEU . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' C' ' 36' ' ' VAL . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.956 HG11 HG21 ' D' ' 31' ' ' ILE . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.786 HG23 HG13 ' E' ' 40' ' ' VAL . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.723 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.723 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.55 ' CE2' HG11 ' F' ' 24' ' ' VAL . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.658 HG13 ' CG1' ' F' ' 24' ' ' VAL . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.698 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.82 HG21 HG11 ' E' ' 39' ' ' VAL . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' E' ' 17' ' ' LEU . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD22 ' D' ' 34' ' ' LEU . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.602 ' HE3' ' HB2' ' O' ' 17' ' ' LEU . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.617 HG23 HG13 ' F' ' 36' ' ' VAL . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.82 HG11 HG21 ' E' ' 31' ' ' ILE . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.786 HG13 HG23 ' D' ' 40' ' ' VAL . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.953 HD11 HG23 ' F' ' 41' ' ' ILE . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.762 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.824 HD12 HD11 ' F' ' 32' ' ' ILE . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.676 ' CZ ' ' HB1' ' F' ' 30' ' ' ALA . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.505 ' CZ ' HG21 ' G' ' 24' ' ' VAL . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG13 ' E' ' 24' ' ' VAL . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.712 HG12 HD11 ' F' ' 41' ' ' ILE . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.824 HD11 HD12 ' F' ' 17' ' ' LEU . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.88 HD22 HD12 ' G' ' 34' ' ' LEU . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.547 ' HG2' HD11 ' P' ' 34' ' ' LEU . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' E' ' 36' ' ' VAL . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' G' ' 39' ' ' VAL . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' G' ' 40' ' ' VAL . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.953 HG23 HD11 ' E' ' 41' ' ' ILE . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.769 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.708 0.289 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.757 ' CE1' HD13 ' G' ' 32' ' ' ILE . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' F' ' 21' ' ' ALA . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.505 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' H' ' 30' ' ' ALA . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.606 HD12 HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' H' ' 32' ' ' ILE . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.88 HD12 HD22 ' F' ' 34' ' ' LEU . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.6 ' SD ' HD23 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.544 HG21 HD11 ' G' ' 31' ' ' ILE . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' H' ' 39' ' ' VAL . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.635 HG13 HG23 ' F' ' 40' ' ' VAL . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' H' ' 29' ' ' GLY . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.769 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.727 0.298 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.807 HD11 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' H' ' 30' ' ' ALA . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.668 HG12 HG21 ' H' ' 39' ' ' VAL . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' G' ' 32' ' ' ILE . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.84 HD23 HD23 ' G' ' 34' ' ' LEU . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.537 ' SD ' HD23 ' Q' ' 17' ' ' LEU . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.637 HG13 HG23 ' I' ' 36' ' ' VAL . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' G' ' 39' ' ' VAL . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' I' ' 40' ' ' VAL . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' I' ' 29' ' ' GLY . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.603 ' CB ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' H' ' 41' ' ' ILE . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.552 HG21 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.69 HG21 HD12 ' H' ' 32' ' ' ILE . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' H' ' 34' ' ' LEU . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.637 HG23 HG13 ' H' ' 36' ' ' VAL . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.555 HG23 HG13 ' H' ' 39' ' ' VAL . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' H' ' 40' ' ' VAL . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.644 HG22 HD11 ' H' ' 41' ' ' ILE . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.518 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.518 HD13 ' O ' ' J' ' 30' ' ' ALA . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.41 ' O ' HG23 ' K' ' 36' ' ' VAL . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.401 ' N ' HG22 ' J' ' 36' ' ' VAL . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.482 HG13 HG21 ' J' ' 31' ' ' ILE . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.656 HG23 HG13 ' K' ' 40' ' ' VAL . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.492 HG21 ' HA2' ' K' ' 29' ' ' GLY . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.427 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.773 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 17' ' ' LEU . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.454 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' K' ' 24' ' ' VAL . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' K' ' 20' ' ' PHE . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' L' ' 31' ' ' ILE . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' L' ' 32' ' ' ILE . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.43 HD22 ' HG ' ' L' ' 34' ' ' LEU . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.642 ' HE1' HD23 ' A' ' 17' ' ' LEU . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.41 HG23 ' O ' ' J' ' 36' ' ' VAL . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.699 HG11 HD12 ' L' ' 31' ' ' ILE . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' J' ' 40' ' ' VAL . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' M' ' 17' ' ' LEU . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' M' ' 21' ' ' ALA . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HA ' HG13 ' M' ' 24' ' ' VAL . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.699 HD12 HG11 ' K' ' 39' ' ' VAL . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.667 HG23 ' HA ' ' K' ' 32' ' ' ILE . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.556 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.452 HD22 HD12 ' M' ' 34' ' ' LEU . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 17' ' ' LEU . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.556 HG13 ' O ' ' L' ' 33' ' ' GLY . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.546 HG13 HG23 ' K' ' 40' ' ' VAL . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' L' ' 17' ' ' LEU . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' L' ' 21' ' ' ALA . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' L' ' 24' ' ' VAL . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.457 HD12 HG21 ' N' ' 32' ' ' ILE . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.632 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.452 HD12 HD22 ' L' ' 34' ' ' LEU . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' N' ' 36' ' ' VAL . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.721 HG22 HG12 ' N' ' 39' ' ' VAL . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' N' ' 40' ' ' VAL . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.53 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' O' ' 18' ' ' VAL . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.457 HG21 HD12 ' M' ' 32' ' ' ILE . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' M' ' 36' ' ' VAL . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.744 HG22 HG12 ' O' ' 39' ' ' VAL . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.562 HG23 HG13 ' O' ' 40' ' ' VAL . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 1.163 HD13 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 1.163 ' O ' HD13 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' P' ' 32' ' ' ILE . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.606 ' HE2' HG11 ' P' ' 24' ' ' VAL . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.423 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.595 HG12 ' HB ' ' P' ' 24' ' ' VAL . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' O' ' 41' ' ' ILE . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.484 HD12 HD11 ' O' ' 41' ' ' ILE . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.445 HD12 HD12 ' P' ' 32' ' ' ILE . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.599 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.903 HD22 HD12 ' P' ' 34' ' ' LEU . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.528 ' HB2' HD11 ' F' ' 34' ' ' LEU . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.599 HG13 ' O ' ' O' ' 33' ' ' GLY . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.744 HG12 HG22 ' N' ' 39' ' ' VAL . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' N' ' 40' ' ' VAL . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.663 HG23 ' CG2' ' N' ' 41' ' ' ILE . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.893 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.828 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.798 HG13 HG23 ' O' ' 18' ' ' VAL . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.572 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' Q' ' 21' ' ' ALA . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' O' ' 20' ' ' PHE . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.68 HG23 HG23 ' Q' ' 32' ' ' ILE . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.613 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.903 HD12 HD22 ' O' ' 34' ' ' LEU . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.517 ' HB2' HD11 ' G' ' 34' ' ' LEU . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.613 HG13 ' O ' ' P' ' 33' ' ' GLY . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.712 HG12 HG22 ' O' ' 39' ' ' VAL . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.557 HG13 HG23 ' O' ' 40' ' ' VAL . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.537 HD12 HD11 ' Q' ' 31' ' ' ILE . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.893 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.696 0.284 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.812 HD11 HD11 ' Q' ' 32' ' ' ILE . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . 0.629 ' CE1' HG11 ' R' ' 24' ' ' VAL . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' R' ' 21' ' ' ALA . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' P' ' 20' ' ' PHE . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.801 HD12 HD11 ' Q' ' 41' ' ' ILE . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.812 HD11 HD11 ' Q' ' 17' ' ' LEU . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . 0.663 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' P' ' 34' ' ' LEU . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.469 ' HE3' HD21 ' G' ' 34' ' ' LEU . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.663 HG13 ' O ' ' Q' ' 33' ' ' GLY . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.728 ' CG1' HD13 ' Q' ' 31' ' ' ILE . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.536 HG13 HG23 ' P' ' 40' ' ' VAL . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.801 HD11 HD12 ' Q' ' 31' ' ' ILE . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.565 ' HB3' ' C ' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.768 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 20' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' R' ' 24' ' ' VAL . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.629 HG11 ' CE1' ' Q' ' 20' ' ' PHE . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.77 HG21 HG21 ' R' ' 39' ' ' VAL . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.623 HG21 HD12 ' Q' ' 32' ' ' ILE . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' R' R ' 33' ' ' GLY . . . . . 0.461 ' N ' HD13 ' R' ' 32' ' ' ILE . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.445 HD12 HD12 ' Q' ' 34' ' ' LEU . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.62 ' SD ' HD11 ' H' ' 34' ' ' LEU . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.513 HG12 HG22 ' Q' ' 36' ' ' VAL . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.77 HG21 HG21 ' R' ' 31' ' ' ILE . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.508 HG23 HG23 ' Q' ' 40' ' ' VAL . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.477 ' O ' HG13 ' B' ' 12' ' ' VAL . 74.0 m-70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' B' ' 12' ' ' VAL . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' ASN . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.682 ' HB3' HG11 ' A' ' 24' ' ' VAL . 5.3 p-10 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 30' ' ' ALA . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 HG23 ' B' ' 32' ' ' ILE . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.684 ' O ' HG13 ' B' ' 36' ' ' VAL . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.437 HG11 HD12 ' B' ' 31' ' ' ILE . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 HG13 ' B' ' 40' ' ' VAL . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' HIS . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 32' ' ' ILE . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' C' ' 18' ' ' VAL . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.504 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.615 ' CG1' HD11 ' B' ' 41' ' ' ILE . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.771 HD12 HG21 ' C' ' 32' ' ' ILE . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.487 ' HG3' HD12 ' L' ' 34' ' ' LEU . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.684 HG13 ' O ' ' A' ' 36' ' ' VAL . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.427 ' HA3' ' CD2' ' K' ' 14' ' ' HIS . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.519 HG13 HG23 ' A' ' 40' ' ' VAL . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 41' ' ' ILE . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.837 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.616 ' CD2' HD11 ' C' ' 32' ' ' ILE . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' B' ' 18' ' ' VAL . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.613 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' C' ' 27' ' ' ASN . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.634 ' HB2' HG11 ' C' ' 24' ' ' VAL . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.759 HD12 HD11 ' C' ' 41' ' ' ILE . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.771 HG21 HD12 ' B' ' 32' ' ' ILE . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.702 ' HB2' HD13 ' L' ' 34' ' ' LEU . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' D' ' 36' ' ' VAL . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.595 ' CG2' HG22 ' D' ' 39' ' ' VAL . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' D' ' 40' ' ' VAL . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.759 HD11 HD12 ' C' ' 31' ' ' ILE . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.704 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' E' ' 24' ' ' VAL . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.561 ' HB2' HG11 ' D' ' 24' ' ' VAL . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' E' ' 31' ' ' ILE . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.705 HD12 HG21 ' E' ' 32' ' ' ILE . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.421 ' HB2' HD13 ' M' ' 34' ' ' LEU . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' C' ' 36' ' ' VAL . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.595 HG22 ' CG2' ' C' ' 39' ' ' VAL . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.638 HG23 HG23 ' E' ' 40' ' ' VAL . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.574 HG22 HG22 ' E' ' 41' ' ' ILE . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.745 0.307 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.9 HD11 HD11 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.432 HG23 HG23 ' F' ' 18' ' ' VAL . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.678 ' CZ ' ' HB1' ' E' ' 30' ' ' ALA . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' D' ' 21' ' ' ALA . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.45 HG21 ' HE1' ' D' ' 20' ' ' PHE . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' E' ' 30' ' ' ALA . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.46 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' D' ' 31' ' ' ILE . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.9 HD11 HD11 ' E' ' 17' ' ' LEU . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.453 ' O ' HG12 ' E' ' 36' ' ' VAL . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.405 HD22 HD12 ' F' ' 34' ' ' LEU . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.578 ' HB2' HD13 ' N' ' 34' ' ' LEU . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.817 HG23 HG13 ' D' ' 36' ' ' VAL . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.762 HG12 HG22 ' F' ' 40' ' ' VAL . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.724 HD11 HG23 ' F' ' 41' ' ' ILE . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 m170 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.788 HD11 HD11 ' F' ' 32' ' ' ILE . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.58 HG13 HG23 ' G' ' 18' ' ' VAL . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.591 ' HB2' HD13 ' F' ' 32' ' ' ILE . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' G' ' 21' ' ' ALA . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' E' ' 41' ' ' ILE . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.666 HD11 HG13 ' G' ' 31' ' ' ILE . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' G' ' 34' ' ' LEU . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.657 HG13 HG13 ' E' ' 36' ' ' VAL . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.593 HG11 HG12 ' F' ' 31' ' ' ILE . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.762 HG22 HG12 ' E' ' 40' ' ' VAL . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.724 HG23 HD11 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.738 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' H' ' 18' ' ' VAL . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.672 ' HB2' HD13 ' G' ' 32' ' ' ILE . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' F' ' 21' ' ' ALA . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.632 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.645 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.632 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' G' ' 39' ' ' VAL . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.843 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' F' ' 34' ' ' LEU . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.426 ' SD ' HD12 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' G' ' 31' ' ' ILE . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.699 HG21 ' HA2' ' H' ' 29' ' ' GLY . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.536 HD22 HD11 ' H' ' 32' ' ' ILE . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' G' ' 18' ' ' VAL . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.699 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.99 HG21 HG11 ' H' ' 39' ' ' VAL . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.843 HG21 HD12 ' G' ' 32' ' ' ILE . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' R' ' 34' ' ' LEU . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' I' ' 36' ' ' VAL . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.99 HG11 HG21 ' H' ' 31' ' ' ILE . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.745 HG21 ' HA2' ' I' ' 29' ' ' GLY . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.468 HD21 HD11 ' I' ' 32' ' ' ILE . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.41 ' N ' HD23 ' I' ' 17' ' ' LEU . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.669 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.67 ' OD1' ' HB2' ' I' ' 30' ' ' ALA . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.745 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' OD1' ' I' ' 27' ' ' ASN . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.877 HG23 HG23 ' H' ' 31' ' ' ILE . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.755 HG21 HD12 ' H' ' 32' ' ' ILE . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.538 ' C ' HD22 ' I' ' 34' ' ' LEU . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.538 HD22 ' C ' ' I' ' 33' ' ' GLY . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.77 ' HE2' HD23 ' R' ' 17' ' ' LEU . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' H' ' 36' ' ' VAL . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.499 HG23 ' HA3' ' I' ' 29' ' ' GLY . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.706 ' HB2' HD22 ' K' ' 17' ' ' LEU . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.578 ' H ' HD23 ' K' ' 17' ' ' LEU . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' J' ' 32' ' ' ILE . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' C ' ' K' ' 21' ' ' ALA . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.633 HG21 HG13 ' J' ' 39' ' ' VAL . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' J' ' 19' ' ' PHE . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' K' ' 34' ' ' LEU . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.662 ' H ' HG12 ' K' ' 36' ' ' VAL . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.633 HG13 HG21 ' J' ' 31' ' ' ILE . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.619 HG23 HG13 ' K' ' 40' ' ' VAL . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.454 HG22 HD11 ' K' ' 31' ' ' ILE . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 14' ' ' HIS . . . . . 0.427 ' CD2' ' HA3' ' B' ' 38' ' ' GLY . 29.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' J' ' 17' ' ' LEU . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' L' ' 32' ' ' ILE . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.454 HD11 HG22 ' J' ' 41' ' ' ILE . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.587 HD11 HD11 ' K' ' 17' ' ' LEU . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' J' ' 34' ' ' LEU . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.662 HG12 ' H ' ' J' ' 36' ' ' VAL . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.619 HG13 HG23 ' J' ' 40' ' ' VAL . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.93 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 54.7 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.538 HE22 ' HB3' ' C' ' 35' ' ' MET . 8.3 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' K' ' 17' ' ' LEU . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' M' ' 18' ' ' VAL . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.533 ' HE2' HG21 ' M' ' 24' ' ' VAL . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' K' ' 21' ' ' ALA . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.415 HG13 HD11 ' L' ' 41' ' ' ILE . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.696 HD12 ' CD2' ' K' ' 19' ' ' PHE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.532 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' C' ' 35' ' ' MET . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.611 ' SD ' HD12 ' C' ' 17' ' ' LEU . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.575 ' H ' HG12 ' M' ' 36' ' ' VAL . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.801 ' HB ' HG22 ' M' ' 41' ' ' ILE . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.93 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.883 HD12 HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' L' ' 18' ' ' VAL . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' N' ' 32' ' ' ILE . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.546 ' C ' ' HB3' ' L' ' 21' ' ' ALA . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' L' ' 20' ' ' PHE . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.635 HD12 ' N ' ' M' ' 33' ' ' GLY . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.635 ' N ' HD12 ' M' ' 32' ' ' ILE . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.469 HD22 HD12 ' N' ' 34' ' ' LEU . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.663 HG22 HG12 ' N' ' 36' ' ' VAL . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.846 HG22 HG12 ' N' ' 39' ' ' VAL . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.704 HG23 HG13 ' N' ' 40' ' ' VAL . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.801 HG22 ' HB ' ' L' ' 41' ' ' ILE . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.914 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.883 HD22 HD12 ' M' ' 17' ' ' LEU . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.537 ' HE1' HG23 ' N' ' 24' ' ' VAL . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HB3' ' M' ' 21' ' ' ALA . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.537 HG23 ' HE1' ' N' ' 20' ' ' PHE . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.598 ' HB ' HG23 ' O' ' 31' ' ' ILE . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.733 HG21 ' CE2' ' M' ' 19' ' ' PHE . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.501 ' O ' HG13 ' N' ' 36' ' ' VAL . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' E' ' 35' ' ' MET . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.75 ' HE1' HD23 ' E' ' 17' ' ' LEU . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' O' ' 36' ' ' VAL . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.846 HG12 HG22 ' M' ' 39' ' ' VAL . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.704 HG13 HG23 ' M' ' 40' ' ' VAL . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.486 HD13 ' C ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 1.017 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.72 0.295 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.945 HD21 HD11 ' O' ' 32' ' ' ILE . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.503 HG13 HG23 ' P' ' 18' ' ' VAL . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.638 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' P' ' 24' ' ' VAL . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.726 ' O ' HD13 ' O' ' 31' ' ' ILE . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.726 HD13 ' O ' ' O' ' 30' ' ' ALA . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.945 HD11 HD21 ' O' ' 17' ' ' LEU . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' N' ' 36' ' ' VAL . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.681 HG13 HG23 ' P' ' 39' ' ' VAL . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.63 HG23 HG13 ' P' ' 40' ' ' VAL . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.758 HD11 HD11 ' P' ' 31' ' ' ILE . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 1.017 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' G' ' 35' ' ' MET . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.503 HG23 HG13 ' O' ' 18' ' ' VAL . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.805 ' HB2' HD12 ' P' ' 32' ' ' ILE . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' Q' ' 24' ' ' VAL . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' C ' ' Q' ' 21' ' ' ALA . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' O' ' 24' ' ' VAL . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.758 HD11 HD11 ' O' ' 41' ' ' ILE . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' P' ' 19' ' ' PHE . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.601 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' G' ' 17' ' ' LEU . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.601 HG13 ' O ' ' P' ' 33' ' ' GLY . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.683 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.63 HG13 HG23 ' O' ' 40' ' ' VAL . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' Q' ' 31' ' ' ILE . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.687 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.561 HG13 HG23 ' R' ' 18' ' ' VAL . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.448 ' C ' ' HB3' ' P' ' 21' ' ' ALA . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' P' ' 20' ' ' PHE . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . 0.705 ' O ' HD13 ' Q' ' 31' ' ' ILE . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.705 HD13 ' O ' ' Q' ' 30' ' ' ALA . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.431 HD13 ' N ' ' Q' ' 33' ' ' GLY . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . 0.431 ' N ' HD13 ' Q' ' 32' ' ' ILE . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' R' ' 34' ' ' LEU . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' P' ' 36' ' ' VAL . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.683 HG12 ' CG1' ' P' ' 39' ' ' VAL . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.655 HG23 HG13 ' R' ' 40' ' ' VAL . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.645 HD12 HD11 ' R' ' 31' ' ' ILE . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 1.172 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.77 HD23 ' HE2' ' I' ' 35' ' ' MET . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.561 HG23 HG13 ' Q' ' 18' ' ' VAL . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' R' ' 32' ' ' ILE . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 29' ' ' GLY . . . . . 0.569 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.645 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' R' ' 19' ' ' PHE . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 33' ' ' GLY . . . . . 0.682 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.585 HD11 ' HG2' ' I' ' 35' ' ' MET . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' I' ' 17' ' ' LEU . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.682 HG13 ' O ' ' R' ' 33' ' ' GLY . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.645 HG12 HG22 ' Q' ' 39' ' ' VAL . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.655 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.554 HG22 HD12 ' Q' ' 41' ' ' ILE . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 1.172 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.724 0.297 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.946 HD23 HD13 ' B' ' 17' ' ' LEU . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.787 HG22 HG12 ' B' ' 18' ' ' VAL . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 31' ' ' ILE . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.592 HD12 HG21 ' B' ' 32' ' ' ILE . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' B' ' 34' ' ' LEU . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' HE1' ' B' ' 35' ' ' MET . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.779 HG11 HD12 ' B' ' 31' ' ' ILE . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.813 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.946 HD13 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.787 HG12 HG22 ' A' ' 18' ' ' VAL . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' C' ' 30' ' ' ALA . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.779 HD12 HG11 ' A' ' 39' ' ' VAL . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' C' ' 32' ' ' ILE . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' A' ' 34' ' ' LEU . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.623 ' HE1' HD23 ' J' ' 17' ' ' LEU . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' C' ' 36' ' ' VAL . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' B' ' 31' ' ' ILE . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.873 HD13 ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.873 ' O ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.707 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.646 HG13 ' CG2' ' B' ' 18' ' ' VAL . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.488 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.616 HG13 ' CG2' ' D' ' 24' ' ' VAL . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.651 HG23 ' HA ' ' D' ' 31' ' ' ILE . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' B' ' 32' ' ' ILE . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' L' ' 35' ' ' MET . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.847 ' HE1' HD12 ' L' ' 17' ' ' LEU . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' B' ' 36' ' ' VAL . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.709 HG13 HG13 ' D' ' 39' ' ' VAL . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 HG23 ' B' ' 40' ' ' VAL . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.515 HG22 HG22 ' B' ' 41' ' ' ILE . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.842 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.615 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' D' ' 32' ' ' ILE . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.616 ' CG2' HG13 ' C' ' 24' ' ' VAL . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' D' ' 41' ' ' ILE . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.919 HG21 HG11 ' D' ' 39' ' ' VAL . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.798 HG21 ' CE1' ' D' ' 19' ' ' PHE . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.705 HD22 HD12 ' E' ' 34' ' ' LEU . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.524 ' SD ' HD21 ' M' ' 34' ' ' LEU . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.686 ' CG2' HG13 ' E' ' 36' ' ' VAL . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.919 HG11 HG21 ' D' ' 31' ' ' ILE . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.804 HG21 ' HA2' ' E' ' 29' ' ' GLY . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' E' ' 32' ' ' ILE . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.541 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.804 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.638 HG13 HD11 ' E' ' 41' ' ' ILE . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.741 HD11 ' CE2' ' E' ' 19' ' ' PHE . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' E' ' 36' ' ' VAL . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.705 HD12 HD22 ' D' ' 34' ' ' LEU . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.407 ' HB2' HD11 ' N' ' 34' ' ' LEU . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.686 HG13 ' CG2' ' D' ' 36' ' ' VAL . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.446 ' H ' HG12 ' E' ' 36' ' ' VAL . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.902 HG22 HG12 ' F' ' 39' ' ' VAL . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.614 HG22 ' CG2' ' F' ' 40' ' ' VAL . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.79 HG21 ' HA2' ' F' ' 29' ' ' GLY . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.75 0.31 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' G' ' 17' ' ' LEU . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.485 ' HB ' HG12 ' G' ' 18' ' ' VAL . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.53 ' HE1' ' HB1' ' F' ' 30' ' ' ALA . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' E' ' 20' ' ' PHE . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.79 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.53 ' HB1' ' HE1' ' F' ' 19' ' ' PHE . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.703 HD11 HG13 ' E' ' 41' ' ' ILE . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.706 HD12 HD22 ' G' ' 34' ' ' LEU . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' G' ' 36' ' ' VAL . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.902 HG12 HG22 ' E' ' 39' ' ' VAL . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.614 ' CG2' HG22 ' E' ' 40' ' ' VAL . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' G' ' 29' ' ' GLY . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.308 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.414 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.48 ' CD1' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' G' ' 20' ' ' PHE . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.414 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.796 HG21 HG11 ' G' ' 39' ' ' VAL . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.671 HD11 HD11 ' G' ' 17' ' ' LEU . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 HD12 ' F' ' 34' ' ' LEU . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.523 ' HE1' HD23 ' O' ' 17' ' ' LEU . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' H' ' 36' ' ' VAL . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.796 HG11 HG21 ' G' ' 31' ' ' ILE . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' H' ' 29' ' ' GLY . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' H' ' 32' ' ' ILE . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.747 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' G' ' 20' ' ' PHE . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.497 HG12 HD11 ' G' ' 41' ' ' ILE . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' H' ' 19' ' ' PHE . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.599 HD22 HD13 ' I' ' 34' ' ' LEU . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.77 ' HG3' HD21 ' Q' ' 34' ' ' LEU . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' G' ' 36' ' ' VAL . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.785 HG22 HG12 ' I' ' 39' ' ' VAL . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.553 HG23 HG13 ' I' ' 40' ' ' VAL . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.696 HD12 HG22 ' I' ' 41' ' ' ILE . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' R' ' 35' ' ' MET . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.463 HG23 HG13 ' H' ' 18' ' ' VAL . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.492 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.458 HG21 HD11 ' I' ' 17' ' ' LEU . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.567 ' O ' HG13 ' I' ' 36' ' ' VAL . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.599 HD13 HD22 ' H' ' 34' ' ' LEU . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.7 HG12 HG12 ' H' ' 36' ' ' VAL . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.785 HG12 HG22 ' H' ' 39' ' ' VAL . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.553 HG13 HG23 ' H' ' 40' ' ' VAL . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.696 HG22 HD12 ' H' ' 41' ' ' ILE . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.775 0.322 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.811 HD22 ' HB3' ' K' ' 17' ' ' LEU . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.738 HD13 ' CG1' ' J' ' 39' ' ' VAL . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.404 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' K' ' 34' ' ' LEU . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' K' ' 36' ' ' VAL . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.738 ' CG1' HD13 ' J' ' 31' ' ' ILE . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 ' CG1' ' K' ' 40' ' ' VAL . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.668 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.811 ' HB3' HD22 ' J' ' 17' ' ' LEU . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.441 ' O ' HG23 ' K' ' 24' ' ' VAL . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.687 ' HA ' HG23 ' L' ' 24' ' ' VAL . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.701 HD12 HG21 ' L' ' 32' ' ' ILE . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' J' ' 34' ' ' LEU . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.89 HG22 HG12 ' L' ' 36' ' ' VAL . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.799 HG22 HG12 ' L' ' 39' ' ' VAL . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.595 HG23 HG13 ' L' ' 40' ' ' VAL . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.969 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.755 0.312 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.847 HD12 ' HE1' ' C' ' 35' ' ' MET . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.407 HG12 ' O ' ' L' ' 20' ' ' PHE . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' O ' HG12 ' L' ' 18' ' ' VAL . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' K' ' 24' ' ' VAL . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.701 HG21 HD12 ' K' ' 32' ' ' ILE . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' M' ' 34' ' ' LEU . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.722 ' HG3' HD11 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.89 HG12 HG22 ' K' ' 36' ' ' VAL . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.849 HG22 HG12 ' M' ' 39' ' ' VAL . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' M' ' 40' ' ' VAL . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.647 ' HB2' HD12 ' M' ' 32' ' ' ILE . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' N' ' 21' ' ' ALA . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' N' ' 31' ' ' ILE . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' M' ' 19' ' ' PHE . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' L' ' 34' ' ' LEU . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.529 ' SD ' HD11 ' D' ' 34' ' ' LEU . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.678 HG22 HG12 ' N' ' 36' ' ' VAL . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.849 HG12 HG22 ' L' ' 39' ' ' VAL . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.445 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.755 0.312 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.641 HG13 HG23 ' O' ' 18' ' ' VAL . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' M' ' 21' ' ' ALA . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.507 ' O ' ' HB1' ' M' ' 21' ' ' ALA . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.691 HD13 HG21 ' M' ' 39' ' ' VAL . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.599 HD12 HG21 ' O' ' 32' ' ' ILE . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.599 HD12 HD22 ' M' ' 34' ' ' LEU . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.559 ' CG ' HD11 ' E' ' 34' ' ' LEU . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.78 HG22 HG12 ' O' ' 36' ' ' VAL . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.769 HG12 HG22 ' M' ' 39' ' ' VAL . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.426 HD11 HD11 ' O' ' 31' ' ' ILE . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.773 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.785 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.641 HG23 HG13 ' N' ' 18' ' ' VAL . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.426 HD11 HD11 ' N' ' 41' ' ' ILE . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.825 HD12 HG21 ' P' ' 32' ' ' ILE . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.531 HD12 HD22 ' N' ' 34' ' ' LEU . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.78 HG12 HG22 ' N' ' 36' ' ' VAL . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.721 HG13 HG23 ' P' ' 39' ' ' VAL . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.789 HG23 HG13 ' P' ' 40' ' ' VAL . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.402 HD11 HD11 ' P' ' 31' ' ' ILE . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.777 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.65 0.262 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' Q' ' 18' ' ' VAL . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' P' ' 32' ' ' ILE . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.412 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.693 HD12 HG21 ' O' ' 39' ' ' VAL . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.825 HG21 HD12 ' O' ' 32' ' ' ILE . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.474 ' HB3' HD23 ' G' ' 34' ' ' LEU . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.447 ' SD ' HD11 ' F' ' 34' ' ' LEU . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.709 ' CG1' HG12 ' Q' ' 36' ' ' VAL . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' O' ' 39' ' ' VAL . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.789 HG13 HG23 ' O' ' 40' ' ' VAL . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' Q' ' 29' ' ' GLY . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.777 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.651 ' HB ' HG12 ' R' ' 18' ' ' VAL . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.534 ' CD1' HG21 ' R' ' 32' ' ' ILE . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.412 HG11 ' HE1' ' P' ' 20' ' ' PHE . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . 0.438 ' HG2' HD11 ' Q' ' 41' ' ' ILE . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' P' ' 41' ' ' ILE . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.564 HD13 ' CG2' ' P' ' 31' ' ' ILE . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.554 HD12 HG21 ' R' ' 32' ' ' ILE . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . 0.534 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.77 HD21 ' HG3' ' H' ' 35' ' ' MET . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.709 HG12 ' CG1' ' P' ' 36' ' ' VAL . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.928 HG22 HG12 ' R' ' 39' ' ' VAL . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' R' ' 40' ' ' VAL . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.729 HD12 ' N ' ' Q' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.729 ' N ' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.799 0.333 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.651 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.711 ' CD2' HD13 ' R' ' 32' ' ' ILE . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.41 HD12 ' N ' ' R' ' 32' ' ' ILE . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.711 HD13 ' CD2' ' R' ' 19' ' ' PHE . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.659 HD12 ' HG ' ' Q' ' 34' ' ' LEU . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.694 ' CE ' HD23 ' I' ' 17' ' ' LEU . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' Q' ' 36' ' ' VAL . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.928 HG12 HG22 ' Q' ' 39' ' ' VAL . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' Q' ' 40' ' ' VAL . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' K' ' 35' ' ' MET . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' HG12 ' B' ' 18' ' ' VAL . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.572 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 30' ' ' ALA . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD12 HG21 ' B' ' 32' ' ' ILE . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HG ' ' B' ' 34' ' ' LEU . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 36' ' ' VAL . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' B' ' 39' ' ' VAL . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 40' ' ' VAL . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.768 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.853 HD11 HD11 ' B' ' 32' ' ' ILE . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' C' ' 18' ' ' VAL . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' C' ' 24' ' ' VAL . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.4 HG13 HG11 ' B' ' 39' ' ' VAL . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.853 HD11 HD11 ' B' ' 17' ' ' LEU . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.594 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 36' ' ' VAL . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 39' ' ' VAL . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.455 ' HB ' HD13 ' C' ' 41' ' ' ILE . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.768 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m170 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.71 HD13 HD23 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' B' ' 18' ' ' VAL . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' C' ' 20' ' ' PHE . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.669 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' D' ' 31' ' ' ILE . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.437 HG23 ' O ' ' C' ' 32' ' ' ILE . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 1.028 HD22 HD12 ' D' ' 34' ' ' LEU . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.506 ' HB2' HD21 ' L' ' 34' ' ' LEU . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' D' ' 36' ' ' VAL . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 39' ' ' VAL . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.574 HG23 HG13 ' D' ' 40' ' ' VAL . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.584 HG23 ' CG1' ' D' ' 41' ' ' ILE . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.749 0.309 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' M' ' 35' ' ' MET . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.677 HG23 HG13 ' C' ' 18' ' ' VAL . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.542 HG13 ' HB ' ' E' ' 24' ' ' VAL . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' C' ' 31' ' ' ILE . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.427 HG21 HD12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 1.028 HD12 HD22 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.875 ' HE2' HD21 ' M' ' 34' ' ' LEU . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' C' ' 36' ' ' VAL . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.784 HG13 HG23 ' E' ' 39' ' ' VAL . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 40' ' ' VAL . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' E' ' 41' ' ' ILE . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 1.036 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' E' ' 18' ' ' VAL . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.596 HG13 HG13 ' D' ' 18' ' ' VAL . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' F' ' 21' ' ' ALA . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.699 ' CD1' HG11 ' D' ' 39' ' ' VAL . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.799 HD23 HD23 ' D' ' 34' ' ' LEU . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.592 ' SD ' HD23 ' N' ' 17' ' ' LEU . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.672 HG23 HG13 ' F' ' 36' ' ' VAL . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.784 HG23 HG13 ' D' ' 39' ' ' VAL . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 40' ' ' VAL . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' D' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 1.019 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 34.9 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.677 HG12 HG22 ' G' ' 18' ' ' VAL . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' F' ' 30' ' ' ALA . 3.5 t-20 -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' OD1' ' F' ' 27' ' ' ASN . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG11 ' F' ' 39' ' ' VAL . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.47 ' HA ' HG23 ' G' ' 32' ' ' ILE . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.453 ' HE1' HD23 ' O' ' 17' ' ' LEU . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.672 HG13 HG23 ' E' ' 36' ' ' VAL . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.759 HG11 HG21 ' F' ' 31' ' ' ILE . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.846 HG12 HG22 ' G' ' 40' ' ' VAL . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.748 HD12 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.748 ' OXT' HD12 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.677 HG22 HG12 ' F' ' 18' ' ' VAL . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' G' ' 20' ' ' PHE . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.57 HG13 HD11 ' G' ' 41' ' ' ILE . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.639 HD12 HG21 ' H' ' 32' ' ' ILE . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.67 ' CE ' HD11 ' O' ' 34' ' ' LEU . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.626 ' H ' HG22 ' H' ' 36' ' ' VAL . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.65 HG23 HG23 ' H' ' 39' ' ' VAL . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.846 HG22 HG12 ' F' ' 40' ' ' VAL . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.74 HG23 HD11 ' F' ' 41' ' ' ILE . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.5 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.688 HD12 HD11 ' H' ' 32' ' ' ILE . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.755 ' HB2' HD12 ' H' ' 32' ' ' ILE . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.514 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.687 HD11 HD12 ' G' ' 41' ' ' ILE . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' H' ' 19' ' ' PHE . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' Q' ' 34' ' ' LEU . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.498 ' SD ' HD11 ' P' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' G' ' 36' ' ' VAL . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' I' ' 39' ' ' VAL . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.695 ' CG1' HG12 ' G' ' 40' ' ' VAL . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' I' ' 41' ' ' ILE . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.474 ' OXT' HD12 ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' H' ' 17' ' ' LEU . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.408 ' O ' HG13 ' I' ' 18' ' ' VAL . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.713 HG21 HG11 ' I' ' 39' ' ' VAL . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.54 ' H ' HD23 ' H' ' 34' ' ' LEU . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.434 HG23 ' O ' ' H' ' 36' ' ' VAL . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' H' ' 39' ' ' VAL . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' H' ' 40' ' ' VAL . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.664 HG22 ' CG1' ' H' ' 41' ' ' ILE . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.499 ' C ' HD13 ' J' ' 17' ' ' LEU . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.511 ' CG2' HG22 ' K' ' 18' ' ' VAL . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.65 ' HB ' HG23 ' K' ' 31' ' ' ILE . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.479 HD13 HD23 ' K' ' 34' ' ' LEU . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' K' ' 39' ' ' VAL . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.493 HG23 HG13 ' K' ' 40' ' ' VAL . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' J' ' 31' ' ' ILE . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.933 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 16' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' K' ' 18' ' ' VAL . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.446 HD13 HD23 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.599 HG23 ' HD3' ' K' ' 16' ' ' LYS . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.634 HG13 ' CG1' ' L' ' 24' ' ' VAL . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' L' ' 30' ' ' ALA . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.65 HG23 ' HB ' ' J' ' 31' ' ' ILE . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' L' ' 32' ' ' ILE . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.686 HD12 HD22 ' L' ' 34' ' ' LEU . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.501 ' HE1' HD22 ' A' ' 17' ' ' LEU . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.69 ' CG2' HG12 ' L' ' 36' ' ' VAL . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' L' ' 39' ' ' VAL . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' L' ' 40' ' ' VAL . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.667 HG13 HD11 ' L' ' 31' ' ' ILE . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.933 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.779 0.323 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' M' ' 17' ' ' LEU . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' M' ' 18' ' ' VAL . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' M' ' 24' ' ' VAL . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.562 ' HB1' ' OE2' ' L' ' 22' ' ' GLU . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 22' ' ' GLU . . . . . 0.562 ' OE2' ' HB1' ' L' ' 21' ' ' ALA . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.706 HG23 ' CG1' ' M' ' 24' ' ' VAL . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.667 HD11 HG13 ' K' ' 41' ' ' ILE . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' K' ' 32' ' ' ILE . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.686 HD22 HD12 ' K' ' 34' ' ' LEU . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.707 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' M' ' 36' ' ' VAL . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' M' ' 39' ' ' VAL . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' K' ' 40' ' ' VAL . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.495 HD11 HG13 ' L' ' 31' ' ' ILE . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.605 HD13 ' CE ' ' D' ' 35' ' ' MET . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' N' ' 18' ' ' VAL . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.4 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' N' ' 21' ' ' ALA . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.706 ' CG1' HG23 ' L' ' 24' ' ' VAL . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.421 ' HA2' HG21 ' L' ' 41' ' ' ILE . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.81 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.48 ' O ' HG13 ' M' ' 36' ' ' VAL . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.875 HD21 ' HE2' ' D' ' 35' ' ' MET . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.568 ' SD ' HD12 ' D' ' 17' ' ' LEU . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' L' ' 36' ' ' VAL . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' L' ' 39' ' ' VAL . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.788 HD12 HD11 ' N' ' 31' ' ' ILE . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.889 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.642 HG13 HG23 ' O' ' 18' ' ' VAL . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' M' ' 21' ' ' ALA . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.64 ' CG1' HG23 ' M' ' 24' ' ' VAL . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.473 HD21 ' HB2' ' N' ' 30' ' ' ALA . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.473 ' HB2' HD21 ' N' ' 27' ' ' ASN . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.788 HD11 HD12 ' M' ' 41' ' ' ILE . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.81 HG21 HD12 ' M' ' 32' ' ' ILE . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.513 HD23 HD23 ' M' ' 34' ' ' LEU . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' O' ' 36' ' ' VAL . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.863 HG23 HG23 ' M' ' 39' ' ' VAL . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.543 HD13 ' HA2' ' O' ' 29' ' ' GLY . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.916 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.324 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' P' ' 18' ' ' VAL . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.647 ' HE2' HG21 ' P' ' 24' ' ' VAL . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' N' ' 21' ' ' ALA . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' O' ' 30' ' ' ALA . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' N' ' 41' ' ' ILE . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' OD1' ' O' ' 27' ' ' ASN . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.784 HG21 HD12 ' N' ' 32' ' ' ILE . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 35' ' ' MET . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' F' ' 17' ' ' LEU . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.748 HG22 HG12 ' P' ' 36' ' ' VAL . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.811 HG22 HG12 ' P' ' 39' ' ' VAL . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.714 HG23 HG13 ' P' ' 40' ' ' VAL . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.524 HG12 HD12 ' N' ' 41' ' ' ILE . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 1.298 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' O' ' 18' ' ' VAL . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' O' ' 21' ' ' ALA . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.472 ' OE1' ' HB1' ' P' ' 21' ' ' ALA . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.647 HG21 ' HE2' ' O' ' 20' ' ' PHE . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.773 HG21 HD12 ' O' ' 32' ' ' ILE . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.651 ' O ' HG13 ' P' ' 36' ' ' VAL . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.498 HD11 ' SD ' ' H' ' 35' ' ' MET . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.48 ' SD ' HD23 ' F' ' 17' ' ' LEU . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.748 HG12 HG22 ' O' ' 36' ' ' VAL . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.817 HG22 HG12 ' Q' ' 39' ' ' VAL . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.714 HG13 HG23 ' O' ' 40' ' ' VAL . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 1.298 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.43 ' HG ' ' HE1' ' H' ' 35' ' ' MET . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.555 ' HB ' HG12 ' R' ' 18' ' ' VAL . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' R' ' 24' ' ' VAL . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' P' ' 21' ' ' ALA . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' R' ' 24' ' ' VAL . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.639 HG21 HD12 ' P' ' 32' ' ' ILE . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . 0.605 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.741 ' HB3' HD13 ' H' ' 34' ' ' LEU . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.464 ' HG3' HD11 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' P' ' 36' ' ' VAL . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.878 HG22 HG12 ' R' ' 39' ' ' VAL . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.701 HG23 HG13 ' R' ' 40' ' ' VAL . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.626 HG22 HG22 ' R' ' 41' ' ' ILE . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.824 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.555 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' R' ' 32' ' ' ILE . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.646 HG21 ' HE1' ' Q' ' 20' ' ' PHE . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' R' ' 19' ' ' PHE . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.402 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.541 ' SD ' HD23 ' H' ' 17' ' ' LEU . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.878 HG12 HG22 ' Q' ' 39' ' ' VAL . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.701 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.686 HD12 ' OXT' ' R' ' 42' ' ' ALA . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.824 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 19' ' ' PHE . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.74 HD23 HD13 ' B' ' 34' ' ' LEU . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' HG13 ' B' ' 36' ' ' VAL . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.611 HG23 ' CG2' ' B' ' 40' ' ' VAL . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.51 HG13 HG22 ' B' ' 41' ' ' ILE . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.595 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' C' ' 18' ' ' VAL . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.714 ' HA3' HD13 ' B' ' 41' ' ' ILE . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.895 HG21 HG11 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 34' ' ' LEU . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.522 ' HE1' HD11 ' K' ' 34' ' ' LEU . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.732 HG21 HD11 ' B' ' 31' ' ' ILE . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.895 HG11 HG21 ' B' ' 31' ' ' ILE . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.928 HG12 HG22 ' C' ' 40' ' ' VAL . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.714 HD13 ' HA3' ' B' ' 29' ' ' GLY . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.741 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' B' ' 18' ' ' VAL . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.832 HG21 HG21 ' C' ' 39' ' ' VAL . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.572 HG23 HG23 ' D' ' 32' ' ' ILE . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 1.035 HD23 HD12 ' D' ' 34' ' ' LEU . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' D' ' 36' ' ' VAL . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.832 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.928 HG22 HG12 ' B' ' 40' ' ' VAL . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.528 HD12 ' OXT' ' C' ' 42' ' ' ALA . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.629 ' CG2' HG22 ' E' ' 18' ' ' VAL . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.553 HG13 ' HB ' ' E' ' 24' ' ' VAL . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.697 HG21 HD12 ' E' ' 31' ' ' ILE . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.643 HD12 HG21 ' E' ' 32' ' ' ILE . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 1.035 HD12 HD23 ' C' ' 34' ' ' LEU . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' C' ' 36' ' ' VAL . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' E' ' 31' ' ' ILE . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG12 ' C' ' 40' ' ' VAL . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' D' ' 31' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.537 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.629 HG22 ' CG2' ' D' ' 18' ' ' VAL . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.496 ' HD2' HD12 ' E' ' 32' ' ' ILE . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.478 ' HE2' HG23 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.553 ' HB ' HG13 ' D' ' 24' ' ' VAL . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.808 HG21 HD12 ' F' ' 31' ' ' ILE . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.643 HG21 HD12 ' D' ' 32' ' ' ILE . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.836 HD22 HD12 ' F' ' 34' ' ' LEU . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.627 HG12 HG12 ' D' ' 36' ' ' VAL . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.724 HG11 HG21 ' E' ' 31' ' ' ILE . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.707 HG21 ' HA2' ' F' ' 29' ' ' GLY . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.8 m80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' G' ' 18' ' ' VAL . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' G' ' 24' ' ' VAL . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.707 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.808 HD12 HG21 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.846 HD22 HD12 ' G' ' 34' ' ' LEU . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 36' ' ' VAL . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.805 HG21 HG21 ' F' ' 31' ' ' ILE . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.663 ' C ' HD13 ' F' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' F' ' 18' ' ' VAL . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.676 ' HB ' HG13 ' F' ' 24' ' ' VAL . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.793 HG21 HG11 ' G' ' 39' ' ' VAL . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.631 HG21 HD12 ' F' ' 32' ' ' ILE . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.846 HD12 HD22 ' F' ' 34' ' ' LEU . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.512 ' SD ' HD11 ' O' ' 34' ' ' LEU . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.523 HG22 ' HB ' ' F' ' 36' ' ' VAL . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.793 HG11 HG21 ' G' ' 31' ' ' ILE . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' H' ' 40' ' ' VAL . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.629 ' HA ' HG23 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.667 ' OXT' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' I' ' 17' ' ' LEU . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.672 HG22 HG22 ' G' ' 18' ' ' VAL . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.49 ' HZ ' ' HB1' ' H' ' 30' ' ' ALA . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' I' ' 21' ' ' ALA . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.829 HG13 HG23 ' I' ' 24' ' ' VAL . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.536 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' HZ ' ' H' ' 19' ' ' PHE . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CG2' ' G' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.741 HD13 HG23 ' I' ' 32' ' ' ILE . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.621 ' N ' HD12 ' H' ' 32' ' ' ILE . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.931 HD22 HD12 ' I' ' 34' ' ' LEU . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.49 ' HB2' HD11 ' Q' ' 34' ' ' LEU . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.68 ' CG1' HG12 ' I' ' 36' ' ' VAL . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.698 HG12 ' HB ' ' G' ' 39' ' ' VAL . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.684 HG12 ' HB ' ' I' ' 40' ' ' VAL . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.521 HD13 ' N ' ' H' ' 42' ' ' ALA . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.667 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.441 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.427 ' H ' HD23 ' I' ' 17' ' ' LEU . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' I' ' 24' ' ' VAL . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' H' ' 21' ' ' ALA . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.829 HG23 HG13 ' H' ' 24' ' ' VAL . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.663 HD13 ' H ' ' I' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.741 HG23 HD13 ' H' ' 32' ' ' ILE . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.585 ' H ' HD12 ' I' ' 32' ' ' ILE . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.931 HD12 HD22 ' H' ' 34' ' ' LEU . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.615 ' SD ' HD11 ' R' ' 34' ' ' LEU . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.68 HG12 ' CG1' ' H' ' 36' ' ' VAL . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.665 HG23 HG23 ' H' ' 39' ' ' VAL . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.684 ' HB ' HG12 ' H' ' 40' ' ' VAL . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 41' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' H' ' 41' ' ' ILE . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.744 0.307 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' J' ' 32' ' ' ILE . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' J' ' 24' ' ' VAL . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.764 HG12 HG22 ' K' ' 24' ' ' VAL . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.455 HG21 HG13 ' J' ' 39' ' ' VAL . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' K' ' 32' ' ' ILE . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.455 HG13 HG21 ' J' ' 31' ' ' ILE . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.588 HG23 HG13 ' K' ' 40' ' ' VAL . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.747 0.308 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.764 HG22 HG12 ' J' ' 24' ' ' VAL . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.517 HD13 HG13 ' K' ' 39' ' ' VAL . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' J' ' 32' ' ' ILE . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' L' ' 34' ' ' LEU . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.684 HG22 HG12 ' L' ' 36' ' ' VAL . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.517 HG13 HD13 ' K' ' 31' ' ' ILE . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.588 HG13 HG23 ' J' ' 40' ' ' VAL . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 1.133 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.722 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' L' ' 21' ' ' ALA . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.649 ' HB2' HD12 ' L' ' 32' ' ' ILE . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG13 ' L' ' 18' ' ' VAL . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' K' ' 24' ' ' VAL . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HZ ' ' L' ' 19' ' ' PHE . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' L' ' 19' ' ' PHE . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' K' ' 34' ' ' LEU . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.618 ' HG3' HD21 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' M' ' 36' ' ' VAL . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.668 ' CG2' HG22 ' M' ' 39' ' ' VAL . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 ' CG1' ' M' ' 40' ' ' VAL . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 1.133 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' M' ' 21' ' ' ALA . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' M' ' 32' ' ' ILE . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.601 ' HB2' HG13 ' M' ' 18' ' ' VAL . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.476 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' M' ' 19' ' ' PHE . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.656 HD12 HD22 ' L' ' 34' ' ' LEU . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.601 ' HG3' HD11 ' D' ' 34' ' ' LEU . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.937 HG22 HG12 ' N' ' 36' ' ' VAL . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.668 HG22 ' CG2' ' L' ' 39' ' ' VAL . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.647 ' CG1' HG12 ' L' ' 40' ' ' VAL . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA2' ' N' ' 29' ' ' GLY . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.575 ' HB3' ' C ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.73 HG13 ' HB2' ' N' ' 21' ' ' ALA . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 21' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' N' ' 18' ' ' VAL . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.75 HG23 ' HB ' ' O' ' 24' ' ' VAL . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.488 ' OD1' HG21 ' N' ' 24' ' ' VAL . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.47 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' N' ' 39' ' ' VAL . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.62 HG13 HG23 ' O' ' 32' ' ' ILE . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.75 ' HB3' HD13 ' E' ' 34' ' ' LEU . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.519 ' SD ' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.937 HG12 HG22 ' M' ' 36' ' ' VAL . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.565 ' HB ' HG12 ' O' ' 39' ' ' VAL . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.629 HG23 HG13 ' O' ' 40' ' ' VAL . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.622 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' O' ' 21' ' ' ALA . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.752 ' HB2' HG13 ' O' ' 18' ' ' VAL . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.75 ' HB ' HG23 ' N' ' 24' ' ' VAL . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 34' ' ' LEU . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.432 ' HG3' HD11 ' F' ' 34' ' ' LEU . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.915 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.818 HG22 HG12 ' P' ' 39' ' ' VAL . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.629 HG13 HG23 ' N' ' 40' ' ' VAL . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.623 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.758 0.313 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' P' ' 21' ' ' ALA . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' P' ' 18' ' ' VAL . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.692 HG13 ' CG2' ' Q' ' 24' ' ' VAL . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.563 ' HB2' HG11 ' P' ' 24' ' ' VAL . 2.6 t30 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.633 ' CD1' HG21 ' O' ' 39' ' ' VAL . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.862 HD22 HD12 ' Q' ' 34' ' ' LEU . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.611 ' HG3' HD11 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.915 HG12 HG22 ' O' ' 36' ' ' VAL . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.818 HG12 HG22 ' O' ' 39' ' ' VAL . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.603 HG13 HG23 ' O' ' 40' ' ' VAL . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.623 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' Q' ' 21' ' ' ALA . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' R' ' 24' ' ' VAL . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.726 ' HB2' ' CG1' ' Q' ' 18' ' ' VAL . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . 0.692 ' CG2' HG13 ' P' ' 24' ' ' VAL . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.43 HG13 HD11 ' Q' ' 41' ' ' ILE . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.522 HG21 HD12 ' P' ' 32' ' ' ILE . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.862 HD12 HD22 ' P' ' 34' ' ' LEU . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.57 ' HG3' HD11 ' H' ' 34' ' ' LEU . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.91 HG12 HG22 ' P' ' 36' ' ' VAL . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' R' ' 39' ' ' VAL . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.532 HG13 HG23 ' P' ' 40' ' ' VAL . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' R' ' 42' ' ' ALA . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.584 HD11 HD11 ' R' ' 32' ' ' ILE . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.58 ' CG1' ' HB2' ' R' ' 21' ' ' ALA . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 20' ' ' PHE . . . . . 0.477 ' HB3' HG11 ' R' ' 24' ' ' VAL . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 21' ' ' ALA . . . . . 0.58 ' HB2' ' CG1' ' R' ' 18' ' ' VAL . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' Q' ' 20' ' ' PHE . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 29' ' ' GLY . . . . . 0.73 ' HA3' HG23 ' R' ' 41' ' ' ILE . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.567 ' CD1' HG21 ' Q' ' 39' ' ' VAL . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.584 HD11 HD11 ' R' ' 17' ' ' LEU . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.777 ' HB3' HD13 ' I' ' 34' ' ' LEU . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.674 ' HB2' HD11 ' I' ' 34' ' ' LEU . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.821 HG22 HG22 ' Q' ' 36' ' ' VAL . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.462 ' HB ' HG23 ' Q' ' 40' ' ' VAL . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.73 HG23 ' HA3' ' R' ' 29' ' ' GLY . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.679 0.276 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 24' ' ' VAL . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 HG22 ' B' ' 24' ' ' VAL . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 HG13 ' B' ' 31' ' ' ILE . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' HG23 ' B' ' 32' ' ' ILE . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.655 ' O ' HD22 ' A' ' 34' ' ' LEU . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 33' ' ' GLY . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 36' ' ' VAL . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG22 HG12 ' B' ' 39' ' ' VAL . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 HG13 ' B' ' 40' ' ' VAL . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.627 HD13 ' HA3' ' A' ' 29' ' ' GLY . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.798 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.648 HD23 ' SD ' ' L' ' 35' ' ' MET . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.522 ' HZ ' ' HB1' ' B' ' 30' ' ' ALA . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 24' ' ' VAL . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.522 ' HB1' ' HZ ' ' B' ' 19' ' ' PHE . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.572 HD13 HG12 ' C' ' 31' ' ' ILE . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' C' ' 32' ' ' ILE . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.646 HD22 HD12 ' C' ' 34' ' ' LEU . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.609 ' CE ' HD23 ' K' ' 17' ' ' LEU . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.731 ' O ' HG23 ' C' ' 36' ' ' VAL . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.917 HG12 HG22 ' A' ' 39' ' ' VAL . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 40' ' ' VAL . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.631 HG22 HG22 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.924 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.672 ' HZ ' ' HB1' ' C' ' 30' ' ' ALA . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.482 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' B' ' 41' ' ' ILE . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' C' ' 19' ' ' PHE . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 39' ' ' VAL . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.626 HD12 ' N ' ' C' ' 33' ' ' GLY . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.692 ' O ' HG12 ' C' ' 36' ' ' VAL . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 HD22 ' B' ' 34' ' ' LEU . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.466 ' SD ' HD12 ' L' ' 17' ' ' LEU . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 36' ' ' VAL . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' D' ' 39' ' ' VAL . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 40' ' ' VAL . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.77 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.924 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.731 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.61 ' HZ ' ' HB1' ' D' ' 30' ' ' ALA . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.84 HG21 HG21 ' C' ' 39' ' ' VAL . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.731 HD11 HD11 ' D' ' 17' ' ' LEU . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.726 HD22 HD12 ' E' ' 34' ' ' LEU . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.493 ' CE ' HD23 ' M' ' 17' ' ' LEU . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 36' ' ' VAL . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' C' ' 39' ' ' VAL . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 40' ' ' VAL . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.611 HG23 HD11 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.77 ' HB2' HD13 ' E' ' 32' ' ' ILE . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.436 HG21 ' CZ ' ' E' ' 20' ' ' PHE . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' E' ' 19' ' ' PHE . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.778 HD12 HG21 ' D' ' 39' ' ' VAL . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' E' ' 19' ' ' PHE . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.726 HD12 HD22 ' D' ' 34' ' ' LEU . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.876 HG23 HG13 ' D' ' 36' ' ' VAL . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.461 ' HA ' HG13 ' D' ' 39' ' ' VAL . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 0.628 HG21 ' HA2' ' F' ' 29' ' ' GLY . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.81 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' F' ' 24' ' ' VAL . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.628 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' F' ' 19' ' ' PHE . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.765 HG21 HG11 ' F' ' 39' ' ' VAL . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' F' ' 19' ' ' PHE . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.453 ' HA3' HG22 ' F' ' 36' ' ' VAL . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.75 HD13 HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' G' ' 36' ' ' VAL . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.765 HG11 HG21 ' F' ' 31' ' ' ILE . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.418 ' O ' HG13 ' F' ' 40' ' ' VAL . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.963 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.748 0.308 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' H' ' 18' ' ' VAL . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.63 ' CE1' ' HB1' ' G' ' 30' ' ' ALA . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' G' ' 24' ' ' VAL . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' G' ' 20' ' ' PHE . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' G' ' 19' ' ' PHE . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' F' ' 31' ' ' ILE . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' F' ' 32' ' ' ILE . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.75 HD23 HD13 ' F' ' 34' ' ' LEU . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.491 ' HG3' HD22 ' P' ' 34' ' ' LEU . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.732 HG23 HG23 ' H' ' 36' ' ' VAL . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' G' ' 31' ' ' ILE . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' H' ' 42' ' ' ALA . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 0.963 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.829 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' I' ' 18' ' ' VAL . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' H' ' 32' ' ' ILE . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' H' ' 24' ' ' VAL . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.704 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.843 HD13 HG13 ' H' ' 39' ' ' VAL . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' H' ' 19' ' ' PHE . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.635 HD12 HD12 ' G' ' 34' ' ' LEU . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.747 ' CG1' HG12 ' I' ' 36' ' ' VAL . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.843 HG13 HD13 ' H' ' 31' ' ' ILE . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.571 HG21 ' HA2' ' I' ' 29' ' ' GLY . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.717 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' H' ' 18' ' ' VAL . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.515 ' HE2' ' HB1' ' I' ' 30' ' ' ALA . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.457 HG11 ' OD1' ' I' ' 27' ' ' ASN . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.457 ' OD1' HG11 ' I' ' 24' ' ' VAL . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.571 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' I' ' 19' ' ' PHE . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.726 HG21 HD12 ' H' ' 32' ' ' ILE . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.471 ' N ' HD13 ' I' ' 32' ' ' ILE . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' H' ' 34' ' ' LEU . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.747 HG12 ' CG1' ' H' ' 36' ' ' VAL . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.599 ' CG1' HD11 ' J' ' 41' ' ' ILE . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' J' ' 19' ' ' PHE . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.7 HG22 HG12 ' K' ' 36' ' ' VAL . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' K' ' 40' ' ' VAL . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.787 HG21 ' HA2' ' K' ' 29' ' ' GLY . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 1.042 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.754 0.311 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' B' ' 35' ' ' MET . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.711 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.423 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.521 HG13 ' CG2' ' L' ' 24' ' ' VAL . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' K' ' 39' ' ' VAL . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.409 ' HA ' HG23 ' L' ' 32' ' ' ILE . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' ' 34' ' ' LEU . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.7 HG12 HG22 ' J' ' 36' ' ' VAL . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' K' ' 31' ' ' ILE . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' J' ' 40' ' ' VAL . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.57 HD12 HD11 ' L' ' 31' ' ' ILE . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.721 0.296 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 21' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.658 HG12 ' CG1' ' M' ' 24' ' ' VAL . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.58 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.57 HD11 HD12 ' K' ' 41' ' ' ILE . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.653 HD12 HG21 ' M' ' 32' ' ' ILE . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.454 HD22 HD12 ' M' ' 34' ' ' LEU . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.648 ' SD ' HD23 ' B' ' 17' ' ' LEU . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.844 HG22 HG12 ' M' ' 36' ' ' VAL . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.503 HG23 HG13 ' M' ' 40' ' ' VAL . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.862 HD13 ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.602 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HG2' ' N' ' 22' ' ' GLU . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' L' ' 24' ' ' VAL . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.826 HD13 HG13 ' M' ' 39' ' ' VAL . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.653 HG21 HD12 ' L' ' 32' ' ' ILE . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.454 HD12 HD22 ' L' ' 34' ' ' LEU . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.497 ' HE1' ' HB2' ' D' ' 17' ' ' LEU . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' N' ' 36' ' ' VAL . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.826 HG13 HD13 ' M' ' 31' ' ' ILE . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.627 HG23 HG13 ' N' ' 40' ' ' VAL . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.521 HD11 HD12 ' M' ' 31' ' ' ILE . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 0.988 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' M' ' 17' ' ' LEU . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 22' ' ' GLU . . . . . 0.528 ' HG2' ' HB1' ' M' ' 21' ' ' ALA . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.648 ' HA ' HG13 ' O' ' 24' ' ' VAL . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.738 HD12 HG11 ' M' ' 39' ' ' VAL . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.507 HG23 HG13 ' M' ' 32' ' ' ILE . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' M' ' 34' ' ' LEU . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.655 ' CE ' HD23 ' D' ' 17' ' ' LEU . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.924 HG12 HG22 ' M' ' 36' ' ' VAL . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.635 HG12 HG12 ' O' ' 39' ' ' VAL . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.627 HG13 HG23 ' M' ' 40' ' ' VAL . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.527 HG21 ' HA2' ' O' ' 29' ' ' GLY . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.808 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.568 HG13 HG23 ' P' ' 18' ' ' VAL . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' O' ' 32' ' ' ILE . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 20' ' ' PHE . . . . . 0.41 ' HE2' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.505 ' HB3' ' N ' ' P' ' 22' ' ' GLU . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.648 HG13 ' HA ' ' N' ' 24' ' ' VAL . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.695 HD12 HG21 ' P' ' 32' ' ' ILE . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' N' ' 34' ' ' LEU . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' P' ' 36' ' ' VAL . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.729 HG22 HG12 ' P' ' 39' ' ' VAL . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.55 HG23 HG13 ' P' ' 40' ' ' VAL . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 0.737 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.698 ' CG1' HG12 ' Q' ' 18' ' ' VAL . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HB1' ' P' ' 30' ' ' ALA . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' O' ' 21' ' ' ALA . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.559 ' HB1' ' CZ ' ' P' ' 19' ' ' PHE . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.656 HD13 HG21 ' O' ' 39' ' ' VAL . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' Q' ' 32' ' ' ILE . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' G' ' 35' ' ' MET . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' O' ' 36' ' ' VAL . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.729 HG12 HG22 ' O' ' 39' ' ' VAL . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.555 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.737 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.698 HG12 ' CG1' ' P' ' 18' ' ' VAL . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . 0.568 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.667 HD13 ' CG2' ' P' ' 39' ' ' VAL . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' P' ' 32' ' ' ILE . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.773 ' HE1' HD23 ' G' ' 17' ' ' LEU . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.784 HG22 HG12 ' R' ' 36' ' ' VAL . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.859 HG21 HG21 ' R' ' 31' ' ' ILE . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.583 HG23 HG13 ' R' ' 40' ' ' VAL . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.78 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.506 HG23 HG23 ' Q' ' 18' ' ' VAL . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.859 HG21 HG21 ' Q' ' 39' ' ' VAL . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' I' ' 34' ' ' LEU . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 35' ' ' MET . . . . . 0.525 ' CE ' HD23 ' H' ' 17' ' ' LEU . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.784 HG12 HG22 ' Q' ' 36' ' ' VAL . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.642 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.583 HG13 HG23 ' Q' ' 40' ' ' VAL . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.78 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 ' CG2' HG12 ' B' ' 18' ' ' VAL . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' HB3' HD13 ' A' ' 32' ' ' ILE . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.575 HD12 HG21 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.486 ' HB ' HG12 ' B' ' 39' ' ' VAL . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 HG23 ' B' ' 40' ' ' VAL . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG21 ' HA3' ' A' ' 29' ' ' GLY . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.108 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 1.046 HD11 HD11 ' B' ' 32' ' ' ILE . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.519 HG12 ' CG2' ' A' ' 18' ' ' VAL . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' B' ' 30' ' ' ALA . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.656 ' CE1' HG21 ' B' ' 24' ' ' VAL . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.656 HG21 ' CE1' ' B' ' 20' ' ' PHE . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.655 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' HE2' ' B' ' 19' ' ' PHE . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 31' ' ' ILE . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 1.046 HD11 HD11 ' B' ' 17' ' ' LEU . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.622 HD13 HD23 ' C' ' 34' ' ' LEU . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.439 ' HE3' HD23 ' K' ' 17' ' ' LEU . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 36' ' ' VAL . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' C' ' 39' ' ' VAL . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.679 ' O ' HD13 ' B' ' 41' ' ' ILE . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.679 HD13 ' O ' ' B' ' 40' ' ' VAL . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 1.108 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.669 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 32' ' ' ILE . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.661 ' CZ ' HG21 ' C' ' 24' ' ' VAL . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.888 HG22 HG12 ' D' ' 24' ' ' VAL . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.435 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.556 HD12 ' N ' ' C' ' 32' ' ' ILE . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.669 HD11 HD11 ' C' ' 17' ' ' LEU . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' D' ' 34' ' ' LEU . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.512 ' SD ' HD12 ' L' ' 17' ' ' LEU . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 36' ' ' VAL . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' B' ' 39' ' ' VAL . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.665 ' CG1' HG12 ' B' ' 40' ' ' VAL . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.438 HD13 ' HB ' ' B' ' 41' ' ' ILE . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . 0.708 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' HIS . . . . . 0.401 ' HB3' ' NE2' ' D' ' 15' ' ' GLN . 12.6 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' D' ' 14' ' ' HIS . 0.1 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' D' ' 18' ' ' VAL . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' D' ' 16' ' ' LYS . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.79 ' CE2' HD11 ' D' ' 32' ' ' ILE . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG11 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.607 ' OE1' ' HB1' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' E' ' 24' ' ' VAL . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.548 ' HB1' ' HE2' ' D' ' 19' ' ' PHE . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.675 HG23 HG23 ' E' ' 31' ' ' ILE . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.79 HD11 ' CE2' ' D' ' 19' ' ' PHE . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' C' ' 34' ' ' LEU . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.448 ' HE2' HD12 ' M' ' 17' ' ' LEU . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.709 HG13 HG23 ' C' ' 36' ' ' VAL . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.668 HG11 HG21 ' D' ' 31' ' ' ILE . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' E' ' 40' ' ' VAL . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.44 HD12 HD11 ' E' ' 31' ' ' ILE . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.668 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' OE1' ' D' ' 22' ' ' GLU . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' D' ' 24' ' ' VAL . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' F' ' 27' ' ' ASN . 10.8 m120 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.681 HD11 HG21 ' E' ' 41' ' ' ILE . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' E' ' 17' ' ' LEU . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.418 ' CB ' HD11 ' N' ' 34' ' ' LEU . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.661 HG13 HG23 ' F' ' 36' ' ' VAL . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' F' ' 39' ' ' VAL . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.796 HG23 HG13 ' F' ' 40' ' ' VAL . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ILE . . . . . 1.058 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 42' ' ' ALA . . . . . 1.058 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.657 ' HB3' HD22 ' E' ' 17' ' ' LEU . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.758 HG13 HG23 ' G' ' 18' ' ' VAL . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.492 ' OE1' ' HB1' ' G' ' 21' ' ' ALA . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.753 ' HB ' HG12 ' E' ' 24' ' ' VAL . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.418 ' HB3' ' ND2' ' E' ' 27' ' ' ASN . 7.0 t-20 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.52 ' CG1' HD13 ' E' ' 31' ' ' ILE . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.838 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' P' ' 35' ' ' MET . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.714 ' CE ' HD23 ' O' ' 17' ' ' LEU . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.912 HG13 HG23 ' G' ' 36' ' ' VAL . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' E' ' 39' ' ' VAL . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.796 HG13 HG23 ' E' ' 40' ' ' VAL . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.892 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.683 HD12 HD11 ' G' ' 32' ' ' ILE . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.758 HG23 HG13 ' F' ' 18' ' ' VAL . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' G' ' 24' ' ' VAL . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' OE1' ' F' ' 22' ' ' GLU . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.618 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' H' ' 24' ' ' VAL . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.472 ' HB2' HG11 ' G' ' 24' ' ' VAL . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.644 HG21 HD12 ' H' ' 31' ' ' ILE . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.838 HG21 HD12 ' F' ' 32' ' ' ILE . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' H' ' 34' ' ' LEU . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.912 HG23 HG13 ' F' ' 36' ' ' VAL . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.688 HG23 HG13 ' F' ' 39' ' ' VAL . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' H' ' 40' ' ' VAL . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 41' ' ' ILE . . . . . 1.018 HD13 ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 42' ' ' ALA . . . . . 1.018 ' O ' HD13 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HE1' ' Q' ' 35' ' ' MET . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.815 HD12 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.75 HG23 HG13 ' G' ' 18' ' ' VAL . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' G' ' 24' ' ' VAL . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.766 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.644 HD12 HG21 ' G' ' 31' ' ' ILE . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.815 HD11 HD12 ' H' ' 17' ' ' LEU . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' Q' ' 34' ' ' LEU . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.835 HG23 HG13 ' I' ' 36' ' ' VAL . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.622 HG22 ' CG1' ' G' ' 39' ' ' VAL . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 40' ' ' VAL . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 41' ' ' ILE . . . . . 0.519 HD11 HG22 ' H' ' 31' ' ' ILE . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.588 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.622 HG23 HG13 ' H' ' 18' ' ' VAL . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' I' ' 24' ' ' VAL . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' H' ' 24' ' ' VAL . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.452 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.601 HD12 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.835 HG13 HG23 ' H' ' 36' ' ' VAL . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.601 HG21 HD12 ' I' ' 31' ' ' ILE . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.484 ' HB ' HG12 ' H' ' 40' ' ' VAL . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 42' ' ' ALA . . . . . 0.452 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' J' ' 30' ' ' ALA . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.474 ' HB2' HG11 ' J' ' 24' ' ' VAL . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' J' ' 20' ' ' PHE . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' J' ' 41' ' ' ILE . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' J' ' 19' ' ' PHE . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.585 HG13 HG23 ' K' ' 32' ' ' ILE . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.476 ' H ' HG12 ' K' ' 36' ' ' VAL . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.634 ' CG2' HG22 ' K' ' 39' ' ' VAL . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.516 HG23 HG23 ' K' ' 40' ' ' VAL . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.819 HG21 ' HA2' ' K' ' 29' ' ' GLY . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.806 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.752 0.31 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.829 HD11 HD11 ' K' ' 32' ' ' ILE . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.819 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' K' ' 39' ' ' VAL . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.829 HD11 HD11 ' K' ' 17' ' ' LEU . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.476 HG12 ' H ' ' J' ' 36' ' ' VAL . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.686 ' CG1' HD13 ' K' ' 31' ' ' ILE . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.695 HG12 HG22 ' L' ' 40' ' ' VAL . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 41' ' ' ILE . . . . . 0.478 HD11 HD12 ' K' ' 31' ' ' ILE . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 42' ' ' ALA . . . . . 0.806 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' HB1' ' L' ' 30' ' ' ALA . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' K' ' 41' ' ' ILE . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.69 ' HB1' ' CZ ' ' L' ' 19' ' ' PHE . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.527 HD13 ' HB ' ' L' ' 39' ' ' VAL . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.571 HG21 HD12 ' K' ' 32' ' ' ILE . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.719 HG22 HG12 ' M' ' 36' ' ' VAL . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.757 HG22 HG12 ' M' ' 39' ' ' VAL . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.695 HG22 HG12 ' K' ' 40' ' ' VAL . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.725 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.695 0.283 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.544 ' CG1' HG13 ' N' ' 18' ' ' VAL . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.597 ' CE2' ' HB1' ' M' ' 30' ' ' ALA . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.572 HD13 ' HB ' ' M' ' 39' ' ' VAL . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.456 HD12 HG21 ' N' ' 32' ' ' ILE . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' N' ' 34' ' ' LEU . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.719 HG12 HG22 ' L' ' 36' ' ' VAL . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.853 HG22 HG12 ' N' ' 39' ' ' VAL . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.666 ' CG1' HG12 ' L' ' 40' ' ' VAL . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 41' ' ' ILE . . . . . 0.469 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 42' ' ' ALA . . . . . 1.163 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.734 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.544 HG13 ' CG1' ' M' ' 18' ' ' VAL . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.713 ' CZ ' ' HB1' ' N' ' 30' ' ' ALA . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 20' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' N' ' 24' ' ' VAL . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' N' ' 20' ' ' PHE . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.713 ' HB1' ' CZ ' ' N' ' 19' ' ' PHE . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.707 HD12 HG21 ' O' ' 32' ' ' ILE . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' M' ' 34' ' ' LEU . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.433 ' HB2' HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' O' ' 36' ' ' VAL . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.853 HG12 HG22 ' M' ' 39' ' ' VAL . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.642 HG12 ' CG1' ' O' ' 40' ' ' VAL . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.592 HD12 HG12 ' O' ' 41' ' ' ILE . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 1.163 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.675 0.274 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.408 ' HB ' HG12 ' P' ' 18' ' ' VAL . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' P' ' 24' ' ' VAL . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' O' ' 30' ' ' ALA . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' O' ' 19' ' ' PHE . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.406 HD13 HG21 ' N' ' 39' ' ' VAL . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.552 HD12 HD22 ' N' ' 34' ' ' LEU . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.427 ' HE1' HD23 ' F' ' 17' ' ' LEU . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' N' ' 36' ' ' VAL . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.762 HG12 HG22 ' N' ' 39' ' ' VAL . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.838 HG23 HG13 ' P' ' 40' ' ' VAL . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 41' ' ' ILE . . . . . 0.592 HG12 HD12 ' N' ' 41' ' ' ILE . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 42' ' ' ALA . . . . . 1.052 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.74 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' Q' ' 18' ' ' VAL . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 19' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.561 ' CG2' HG13 ' O' ' 24' ' ' VAL . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' P' ' 30' ' ' ALA . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.506 ' HA3' HG21 ' P' ' 41' ' ' ILE . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' P' ' 27' ' ' ASN . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.676 ' CG1' HD11 ' P' ' 41' ' ' ILE . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.487 ' HB2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.948 HG22 HG12 ' Q' ' 36' ' ' VAL . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.742 HG23 HG23 ' O' ' 39' ' ' VAL . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.838 HG13 HG23 ' O' ' 40' ' ' VAL . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 41' ' ' ILE . . . . . 0.676 HD11 ' CG1' ' P' ' 31' ' ' ILE . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 1.052 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.693 0.282 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 17' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' P' ' 18' ' ' VAL . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 19' ' ' PHE . . . . . 0.528 ' HE2' ' HB1' ' Q' ' 30' ' ' ALA . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 30' ' ' ALA . . . . . 0.528 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 31' ' ' ILE . . . . . 0.599 ' HB ' HG22 ' R' ' 31' ' ' ILE . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . 0.463 HD11 HD12 ' Q' ' 17' ' ' LEU . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 34' ' ' LEU . . . . . 0.489 HD13 HD23 ' R' ' 34' ' ' LEU . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 35' ' ' MET . . . . . 0.474 ' HE1' ' HB3' ' H' ' 15' ' ' GLN . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 36' ' ' VAL . . . . . 0.948 HG12 HG22 ' P' ' 36' ' ' VAL . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG1' ' P' ' 39' ' ' VAL . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 40' ' ' VAL . . . . . 0.489 HG23 HG13 ' R' ' 40' ' ' VAL . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 41' ' ' ILE . . . . . 0.912 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 42' ' ' ALA . . . . . 0.912 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 17' ' ' LEU . . . . . 0.767 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 18' ' ' VAL . . . . . 0.675 HG12 ' CG2' ' Q' ' 18' ' ' VAL . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 19' ' ' PHE . . . . . 0.519 ' HE1' ' HB1' ' R' ' 30' ' ' ALA . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 20' ' ' PHE . . . . . 0.526 ' HB3' HG21 ' R' ' 24' ' ' VAL . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 24' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' R' ' 20' ' ' PHE . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HE1' ' R' ' 19' ' ' PHE . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 31' ' ' ILE . . . . . 0.759 HD13 HG11 ' R' ' 39' ' ' VAL . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 32' ' ' ILE . . . . . 0.44 HD13 ' N ' ' R' ' 33' ' ' GLY . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' R' R ' 33' ' ' GLY . . . . . 0.548 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 34' ' ' LEU . . . . . 0.489 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 36' ' ' VAL . . . . . 0.639 HG12 ' CG2' ' Q' ' 36' ' ' VAL . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' R' R ' 39' ' ' VAL . . . . . 0.759 HG11 HD13 ' R' ' 31' ' ' ILE . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 40' ' ' VAL . . . . . 0.489 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 41' ' ' ILE . . . . . 0.669 HG22 ' CG1' ' Q' ' 41' ' ' ILE . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' R' R ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.54 140.43 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -90.78 134.21 34.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -120.03 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG23 HG12 ' B' ' 18' ' ' VAL . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HD13 ' A' ' 32' ' ' ILE . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' B' ' 24' ' ' VAL . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' HB2' HG21 ' A' ' 24' ' ' VAL . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HE2' ' A' ' 20' ' ' PHE . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' B' ' 31' ' ' ILE . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' B' ' 32' ' ' ILE . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD22 ' J' ' 17' ' ' LEU . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' B' ' 40' ' ' VAL . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.05 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' C' ' 17' ' ' LEU . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 18' ' ' VAL . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.676 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 24' ' ' VAL . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.54 ' HB3' HG11 ' B' ' 24' ' ' VAL . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.946 HD13 HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' A' ' 32' ' ' ILE . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.528 HD23 ' CD1' ' A' ' 34' ' ' LEU . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' C' ' 36' ' ' VAL . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.849 HG11 HG21 ' B' ' 31' ' ' ILE . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' A' ' 40' ' ' VAL . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.505 HG21 ' HA2' ' C' ' 29' ' ' GLY . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 1.05 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.42 140.19 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -107.96 155.92 19.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.15 -70.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.851 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 18' ' ' VAL . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.553 ' HA3' HG23 ' C' ' 41' ' ' ILE . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.686 ' CG2' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.851 HD11 HD11 ' C' ' 17' ' ' LEU . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.7 HD22 HD13 ' D' ' 34' ' ' LEU . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.718 HG12 HG22 ' B' ' 36' ' ' VAL . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.9 HG11 HD13 ' D' ' 31' ' ' ILE . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' D' ' 40' ' ' VAL . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.841 HG21 ' HA2' ' D' ' 29' ' ' GLY . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.364 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.657 HG23 ' HA2' ' N' ' 38' ' ' GLY . 17.3 m -118.66 39.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -118.55 113.31 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 100.42 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.718 HG12 ' CG2' ' C' ' 18' ' ' VAL . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.591 HG11 ' OD1' ' D' ' 27' ' ' ASN . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.591 ' OD1' HG11 ' D' ' 24' ' ' VAL . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.841 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.9 HD13 HG11 ' C' ' 39' ' ' VAL . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.831 HG21 HD12 ' C' ' 32' ' ' ILE . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' C' ' 34' ' ' LEU . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.672 ' HE1' ' HB2' ' M' ' 17' ' ' LEU . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' E' ' 36' ' ' VAL . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.787 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.706 HG12 HG22 ' E' ' 40' ' ' VAL . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' C' ' 41' ' ' ILE . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.35 135.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -140.04 132.73 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -70.85 -68.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.83 HD11 HD11 ' E' ' 32' ' ' ILE . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' E' ' 21' ' ' ALA . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.571 ' CD2' HG21 ' E' ' 24' ' ' VAL . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' E' ' 18' ' ' VAL . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.53 ' O ' HG23 ' E' ' 24' ' ' VAL . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' E' ' 20' ' ' PHE . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.644 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.768 HD12 HD11 ' E' ' 41' ' ' ILE . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.83 HD11 HD11 ' E' ' 17' ' ' LEU . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.56 ' SD ' HD23 ' N' ' 17' ' ' LEU . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.984 HG12 HG22 ' D' ' 36' ' ' VAL . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.787 HG23 HG13 ' D' ' 39' ' ' VAL . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.706 HG22 HG12 ' D' ' 40' ' ' VAL . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.768 HD11 HD12 ' E' ' 31' ' ' ILE . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.486 ' OXT' ' HE2' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -148.22 149.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -75.0 71.91 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -132.63 165.53 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.555 HD12 ' SD ' ' O' ' 35' ' ' MET . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.717 ' O ' HG23 ' F' ' 24' ' ' VAL . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.717 HG23 ' O ' ' F' ' 22' ' ' GLU . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.486 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.477 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG21 ' F' ' 39' ' ' VAL . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' G' ' 32' ' ' ILE . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.407 ' HG3' HD21 ' O' ' 34' ' ' LEU . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.959 HG23 HG23 ' E' ' 36' ' ' VAL . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.759 HG21 HG21 ' F' ' 31' ' ' ILE . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.717 ' CD1' HD12 ' E' ' 41' ' ' ILE . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.598 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.902 0.382 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -125.28 -178.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.08 147.61 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -175.23 137.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.447 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' G' ' 22' ' ' GLU . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.598 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.692 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' F' ' 31' ' ' ILE . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' Q' ' 35' ' ' MET . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.472 ' CB ' HD21 ' P' ' 34' ' ' LEU . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.861 HG22 HG12 ' H' ' 36' ' ' VAL . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.732 HG23 HG13 ' H' ' 39' ' ' VAL . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.818 HD12 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.818 ' OXT' HD12 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.401 HG13 ' O ' ' H' ' 12' ' ' VAL . 6.6 p -153.46 122.78 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -178.62 -173.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.08 157.04 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.824 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.528 ' O ' HG23 ' H' ' 24' ' ' VAL . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.649 HG11 ' OD1' ' H' ' 27' ' ' ASN . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.649 ' OD1' HG11 ' H' ' 24' ' ' VAL . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.49 ' HA3' HG23 ' H' ' 41' ' ' ILE . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.754 HG21 HD12 ' I' ' 31' ' ' ILE . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.815 HD12 HG21 ' I' ' 32' ' ' ILE . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' Q' ' 34' ' ' LEU . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.637 ' HG3' HD11 ' Q' ' 34' ' ' LEU . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.861 HG12 HG22 ' G' ' 36' ' ' VAL . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.732 HG13 HG23 ' G' ' 39' ' ' VAL . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.502 HG21 ' HA2' ' I' ' 29' ' ' GLY . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.832 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.2 m -94.61 -176.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -112.44 -50.95 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -68.96 143.96 54.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.59 61.81 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' H' ' 17' ' ' LEU . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.426 ' HA ' HG13 ' H' ' 18' ' ' VAL . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD12 ' I' ' 32' ' ' ILE . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.502 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' H' ' 31' ' ' ILE . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.815 HG21 HD12 ' H' ' 32' ' ' ILE . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.432 HD23 HD22 ' H' ' 34' ' ' LEU . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' H' ' 36' ' ' VAL . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.832 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -114.77 176.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.93 -168.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 35' ' ' MET . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' J' ' 27' ' ' ASN . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' J' ' 24' ' ' VAL . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.424 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.584 HD12 HD12 ' K' ' 34' ' ' LEU . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.632 HG11 HD12 ' K' ' 31' ' ' ILE . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.625 HG23 HG13 ' K' ' 40' ' ' VAL . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' K' ' 41' ' ' ILE . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 1.262 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.71 136.56 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -174.56 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -112.9 111.87 22.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.626 HG13 HG23 ' L' ' 18' ' ' VAL . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.682 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . 0.513 ' HE2' HG13 ' K' ' 24' ' ' VAL . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' L' ' 22' ' ' GLU . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.513 HG13 ' HE2' ' K' ' 20' ' ' PHE . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' K' ' 41' ' ' ILE . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.915 HG21 HG11 ' K' ' 39' ' ' VAL . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' L' ' 32' ' ' ILE . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.617 ' CD2' HD23 ' L' ' 34' ' ' LEU . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.915 HG11 HG21 ' K' ' 31' ' ' ILE . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.637 HG23 HG13 ' L' ' 40' ' ' VAL . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' K' ' 29' ' ' GLY . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 1.262 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.503 HG21 HG11 ' M' ' 12' ' ' VAL . 34.4 m -119.71 137.89 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -137.16 136.67 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -146.46 156.24 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.626 HG23 HG13 ' K' ' 18' ' ' VAL . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.59 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . 0.449 ' N ' ' HB3' ' K' ' 21' ' ' ALA . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.698 ' HA ' HG12 ' M' ' 24' ' ' VAL . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.777 HG23 HG23 ' K' ' 31' ' ' ILE . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.791 HG21 HD12 ' K' ' 32' ' ' ILE . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.949 HD12 HD22 ' M' ' 34' ' ' LEU . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.468 ' CE ' HD23 ' B' ' 17' ' ' LEU . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.822 HG22 HG12 ' M' ' 39' ' ' VAL . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.645 HG23 HG13 ' M' ' 40' ' ' VAL . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.792 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.612 HG23 ' H ' ' N' ' 12' ' ' VAL . 7.0 p -119.93 142.98 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -138.88 141.33 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -92.82 -70.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.436 ' HA ' HG13 ' L' ' 18' ' ' VAL . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' L' ' 24' ' ' VAL . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.659 HD12 HG21 ' N' ' 32' ' ' ILE . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.949 HD22 HD12 ' L' ' 34' ' ' LEU . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.739 ' CE ' HD23 ' C' ' 17' ' ' LEU . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.761 HG22 HG12 ' N' ' 36' ' ' VAL . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.822 HG12 HG22 ' L' ' 39' ' ' VAL . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.645 HG13 HG23 ' L' ' 40' ' ' VAL . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 1.001 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.612 ' H ' HG23 ' M' ' 12' ' ' VAL . 22.4 t -118.36 82.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -75.11 81.05 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -56.89 -74.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' E' ' 35' ' ' MET . 41.2 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.595 ' HE1' HG11 ' O' ' 24' ' ' VAL . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.533 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.451 HG13 HD11 ' N' ' 41' ' ' ILE . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.659 HG21 HD12 ' M' ' 32' ' ' ILE . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.499 ' HB3' HD21 ' D' ' 34' ' ' LEU . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.761 HG12 HG22 ' M' ' 36' ' ' VAL . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . 0.657 ' HA2' HG23 ' D' ' 12' ' ' VAL . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' O' ' 39' ' ' VAL . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.779 HG23 HG13 ' O' ' 40' ' ' VAL . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.451 HD11 HG13 ' N' ' 31' ' ' ILE . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 1.001 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 133.56 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -173.92 170.87 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -179.19 119.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.612 ' HB2' HD12 ' O' ' 32' ' ' ILE . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.61 ' CE2' HG13 ' O' ' 24' ' ' VAL . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.533 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' HB1' ' N' ' 21' ' ' ALA . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' O' ' 20' ' ' PHE . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.664 HG12 HD11 ' O' ' 41' ' ' ILE . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' O' ' 19' ' ' PHE . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' E' ' 35' ' ' MET . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.82 ' HE1' HD23 ' E' ' 17' ' ' LEU . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.604 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' N' ' 39' ' ' VAL . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.779 HG13 HG23 ' N' ' 40' ' ' VAL . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.664 HD11 HG12 ' O' ' 31' ' ' ILE . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.04 118.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -135.27 148.4 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.52 166.27 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.623 HG13 HG23 ' Q' ' 18' ' ' VAL . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' P' ' 32' ' ' ILE . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.542 ' CE1' HG21 ' Q' ' 24' ' ' VAL . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' Q' ' 22' ' ' GLU . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.692 ' HA ' HG22 ' Q' ' 24' ' ' VAL . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' P' ' 19' ' ' PHE . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' G' ' 35' ' ' MET . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HE1' ' Q' ' 35' ' ' MET . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' Q' ' 36' ' ' VAL . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.719 HG12 ' CG1' ' O' ' 39' ' ' VAL . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.556 HG23 HG13 ' Q' ' 40' ' ' VAL . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' Q' ' 41' ' ' ILE . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.819 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.946 0.403 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' R' ' 13' ' ' HIS . 14.9 p -120.97 148.37 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -71.77 -71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -177.57 176.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.623 HG23 HG13 ' P' ' 18' ' ' VAL . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . 0.533 ' N ' ' HB3' ' P' ' 21' ' ' ALA . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.692 HG22 ' HA ' ' P' ' 24' ' ' VAL . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' Q' ' 19' ' ' PHE . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' R' ' 31' ' ' ILE . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.67 HD12 HG21 ' R' ' 32' ' ' ILE . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' H' ' 34' ' ' LEU . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.52 ' SD ' HD11 ' G' ' 34' ' ' LEU . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' P' ' 36' ' ' VAL . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.604 HG11 HG21 ' Q' ' 31' ' ' ILE . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.633 HG23 HG13 ' R' ' 40' ' ' VAL . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' P' ' 41' ' ' ILE . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.819 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t 52.13 68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 13' ' ' HIS . . . . . 0.45 ' O ' HG23 ' Q' ' 12' ' ' VAL . 0.5 OUTLIER -170.77 159.43 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -52.95 150.53 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' R' ' 18' ' ' VAL . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.595 HG23 HG13 ' Q' ' 18' ' ' VAL . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.64 ' HD2' HD13 ' R' ' 32' ' ' ILE . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' R' ' 30' ' ' ALA . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 29' ' ' GLY . . . . . 0.423 ' O ' HD12 ' R' ' 41' ' ' ILE . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 30' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' R' ' 27' ' ' ASN . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' Q' ' 31' ' ' ILE . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.67 HG21 HD12 ' Q' ' 32' ' ' ILE . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.73 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.633 HG13 HG23 ' Q' ' 40' ' ' VAL . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.423 HD12 ' O ' ' R' ' 29' ' ' GLY . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -92.12 46.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 m170 58.42 41.04 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -116.25 -39.43 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HE2' ' A' ' 19' ' ' PHE . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 31' ' ' ILE . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 17' ' ' LEU . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' B' ' 34' ' ' LEU . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 36' ' ' VAL . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.821 HG23 HG23 ' B' ' 39' ' ' VAL . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG23 HG13 ' B' ' 40' ' ' VAL . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.948 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.628 HG23 ' HD3' ' B' ' 16' ' ' LYS . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD3' HG23 ' B' ' 12' ' ' VAL . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.862 HD11 HD11 ' B' ' 32' ' ' ILE . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' B' ' 32' ' ' ILE . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.638 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.423 HD12 ' HB ' ' A' ' 31' ' ' ILE . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.886 HD12 HG21 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.43 ' O ' HG12 ' B' ' 36' ' ' VAL . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' K' ' 34' ' ' LEU . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.425 ' HB2' HD21 ' K' ' 34' ' ' LEU . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.941 HG13 HG23 ' C' ' 39' ' ' VAL . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.601 HG13 HG23 ' A' ' 40' ' ' VAL . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 41' ' ' ILE . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.948 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.63 138.04 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.445 ' HB2' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -148.29 -171.75 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -53.73 -67.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.831 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.495 ' HE1' ' HB1' ' C' ' 30' ' ' ALA . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' D' ' 24' ' ' VAL . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' B' ' 20' ' ' PHE . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' C' ' 41' ' ' ILE . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.498 ' CA ' HD13 ' C' ' 41' ' ' ILE . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' HE1' ' C' ' 19' ' ' PHE . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.886 HG21 HD12 ' B' ' 32' ' ' ILE . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' L' ' 34' ' ' LEU . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.643 ' HB2' HD21 ' L' ' 34' ' ' LEU . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' D' ' 36' ' ' VAL . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.941 HG23 HG13 ' B' ' 39' ' ' VAL . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' D' ' 40' ' ' VAL . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.702 HD12 ' N ' ' C' ' 42' ' ' ALA . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.732 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' E' ' 12' ' ' VAL . 23.7 m -62.66 170.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -86.71 164.45 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -131.2 -59.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.686 HG12 HG12 ' E' ' 18' ' ' VAL . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' D' ' 24' ' ' VAL . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.471 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' D' ' 20' ' ' PHE . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.501 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.501 HD13 ' O ' ' D' ' 30' ' ' ALA . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.464 HD12 ' N ' ' D' ' 33' ' ' GLY . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.464 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' C' ' 36' ' ' VAL . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.868 HG22 HG12 ' E' ' 39' ' ' VAL . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.66 HG13 HG23 ' C' ' 40' ' ' VAL . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.775 HG21 ' HA2' ' E' ' 29' ' ' GLY . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.516 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.425 ' HB ' HG21 ' D' ' 12' ' ' VAL . 36.0 t 56.42 68.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -89.14 94.35 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -66.97 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.701 HG22 HG12 ' F' ' 18' ' ' VAL . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.429 ' HE2' HG21 ' F' ' 24' ' ' VAL . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' D' ' 20' ' ' PHE . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' E' ' 30' ' ' ALA . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.775 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' OD1' ' E' ' 27' ' ' ASN . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.772 HG21 HD12 ' F' ' 31' ' ' ILE . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.464 HG12 HD13 ' D' ' 32' ' ' ILE . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' F' ' 34' ' ' LEU . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.458 ' CB ' HD21 ' N' ' 34' ' ' LEU . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.89 HG12 HG12 ' D' ' 36' ' ' VAL . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.868 HG12 HG22 ' D' ' 39' ' ' VAL . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.56 HG22 HD12 ' D' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.81 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.02 153.32 17.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.61 -74.72 0.61 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' G' ' 18' ' ' VAL . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' F' ' 32' ' ' ILE . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.476 HG22 ' CE2' ' F' ' 20' ' ' PHE . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.537 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.83 HG21 HD12 ' G' ' 31' ' ' ILE . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.452 HD12 ' HD2' ' F' ' 19' ' ' PHE . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.583 ' O ' HD12 ' F' ' 34' ' ' LEU . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' E' ' 34' ' ' LEU . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.738 HG23 HG23 ' E' ' 36' ' ' VAL . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.734 HG11 ' CD1' ' G' ' 31' ' ' ILE . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.664 HG21 ' HA2' ' G' ' 29' ' ' GLY . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.641 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -92.49 178.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -174.95 140.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -176.64 -177.8 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.721 HG12 HG22 ' F' ' 18' ' ' VAL . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' G' ' 32' ' ' ILE . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.606 ' HE1' HG21 ' H' ' 24' ' ' VAL . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.408 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.73 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.744 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.73 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.83 HD12 HG21 ' F' ' 31' ' ' ILE . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.704 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' H' ' 34' ' ' LEU . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.556 ' SD ' HD23 ' P' ' 17' ' ' LEU . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' H' ' 36' ' ' VAL . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' H' ' 39' ' ' VAL . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.744 HG23 ' HA3' ' G' ' 29' ' ' GLY . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -142.54 151.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.33 167.41 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.88 -64.95 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.748 ' HB3' HD22 ' G' ' 17' ' ' LEU . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.681 HG22 HG22 ' G' ' 18' ' ' VAL . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' I' ' 24' ' ' VAL . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.606 HG21 ' HE1' ' G' ' 20' ' ' PHE . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.737 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.633 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.724 HG12 HG21 ' H' ' 39' ' ' VAL . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.704 HG21 HD12 ' G' ' 32' ' ' ILE . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' R' ' 35' ' ' MET . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' G' ' 36' ' ' VAL . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.88 HG12 HG22 ' I' ' 39' ' ' VAL . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' I' ' 40' ' ' VAL . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.834 HG21 ' HA2' ' I' ' 29' ' ' GLY . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.61 137.82 53.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 57.71 52.0 8.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -139.82 139.97 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -124.65 92.05 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' I' ' 32' ' ' ILE . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.693 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.834 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.693 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.575 HD11 HG12 ' I' ' 41' ' ' ILE . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.47 HD11 HD12 ' I' ' 17' ' ' LEU . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.549 ' SD ' HD23 ' R' ' 17' ' ' LEU . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' I' ' 39' ' ' VAL . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.88 HG22 HG12 ' H' ' 39' ' ' VAL . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' H' ' 40' ' ' VAL . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.575 HG12 HD11 ' I' ' 31' ' ' ILE . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 m -133.2 36.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -74.46 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -72.49 -38.51 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' O ' ' J' ' 17' ' ' LEU . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' K' ' 32' ' ' ILE . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' K' ' 24' ' ' VAL . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' K' ' 32' ' ' ILE . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' K' ' 34' ' ' LEU . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.505 HG22 HG12 ' K' ' 36' ' ' VAL . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.407 ' HB ' HG22 ' K' ' 39' ' ' VAL . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.593 HG23 HG13 ' K' ' 40' ' ' VAL . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.7 HG22 HG22 ' K' ' 41' ' ' ILE . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 1.04 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 26.5 m -103.31 134.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -120.7 -169.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -143.24 123.18 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.411 HD23 ' N ' ' K' ' 18' ' ' VAL . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.411 ' N ' HD23 ' K' ' 17' ' ' LEU . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' K' ' 24' ' ' VAL . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' J' ' 24' ' ' VAL . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 1.04 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 1.115 HD11 HG21 ' K' ' 41' ' ' ILE . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' J' ' 19' ' ' PHE . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' B' ' 34' ' ' LEU . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.645 ' SD ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.627 HG22 HG12 ' L' ' 36' ' ' VAL . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.594 HG11 HD12 ' L' ' 31' ' ' ILE . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.593 HG13 HG23 ' J' ' 40' ' ' VAL . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 1.115 HG21 HD11 ' K' ' 31' ' ' ILE . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.921 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.46 50.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 61.49 53.13 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -56.84 -62.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 1.002 HG21 ' HB2' ' L' ' 21' ' ' ALA . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' L' ' 24' ' ' VAL . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 1.002 ' HB2' HG21 ' L' ' 18' ' ' VAL . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.612 HG22 ' CE2' ' L' ' 20' ' ' PHE . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.439 ' HB2' HG11 ' L' ' 24' ' ' VAL . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' K' ' 41' ' ' ILE . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.405 ' O ' HD12 ' K' ' 31' ' ' ILE . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.594 HD12 HG11 ' K' ' 39' ' ' VAL . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.65 HD12 HG21 ' M' ' 32' ' ' ILE . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' M' ' 34' ' ' LEU . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' M' ' 36' ' ' VAL . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.563 HG11 HG21 ' L' ' 31' ' ' ILE . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 HG22 ' M' ' 40' ' ' VAL . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.699 ' HB ' HG22 ' M' ' 41' ' ' ILE . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.942 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.09 -176.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -61.12 177.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -142.06 162.94 34.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.658 HG23 HG13 ' L' ' 18' ' ' VAL . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 20' ' ' PHE . . . . . 0.583 ' HE1' HG21 ' N' ' 24' ' ' VAL . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' M' ' 18' ' ' VAL . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.612 HD13 ' CG1' ' M' ' 39' ' ' VAL . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.802 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' L' ' 34' ' ' LEU . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.574 ' SD ' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' L' ' 36' ' ' VAL . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' M' ' 31' ' ' ILE . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.768 HG12 HG22 ' N' ' 40' ' ' VAL . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.699 HG22 ' HB ' ' L' ' 41' ' ' ILE . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.942 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.7 79.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.216 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 13' ' ' HIS . . . . . 0.558 ' CE1' HG23 ' O' ' 12' ' ' VAL . 80.9 m-70 -148.12 113.95 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -176.71 -174.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' O' ' 18' ' ' VAL . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.435 ' HB2' HG21 ' N' ' 18' ' ' VAL . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' O' ' 24' ' ' VAL . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.802 HG21 HD12 ' M' ' 32' ' ' ILE . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' M' ' 34' ' ' LEU . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.672 ' CG1' HG12 ' O' ' 36' ' ' VAL . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.812 HG22 HG12 ' O' ' 39' ' ' VAL . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.768 HG22 HG12 ' M' ' 40' ' ' VAL . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.602 HG12 HD11 ' M' ' 41' ' ' ILE . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' N' ' 13' ' ' HIS . 9.0 m -60.09 136.94 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.12 -179.17 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.01 115.77 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' N' ' 18' ' ' VAL . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' O' ' 32' ' ' ILE . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.425 ' HE1' HD22 ' O' ' 27' ' ' ASN . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.674 ' HB2' HG11 ' O' ' 18' ' ' VAL . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' N' ' 24' ' ' VAL . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.425 HD22 ' HE1' ' O' ' 20' ' ' PHE . 0.4 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.793 HG21 HD12 ' N' ' 32' ' ' ILE . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' P' ' 34' ' ' LEU . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.667 ' HG2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' P' ' 36' ' ' VAL . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.812 HG12 HG22 ' N' ' 39' ' ' VAL . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.738 ' CG1' HG12 ' N' ' 40' ' ' VAL . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 1.111 HD13 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 1.111 ' O ' HD13 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -161.85 143.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -55.04 123.45 13.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 -179.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' P' ' 21' ' ' ALA . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' P' ' 32' ' ' ILE . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.405 ' O ' HG23 ' P' ' 24' ' ' VAL . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' P' ' 22' ' ' GLU . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' P' ' 41' ' ' ILE . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.64 HD13 ' CD1' ' Q' ' 31' ' ' ILE . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.663 HD12 HG21 ' Q' ' 32' ' ' ILE . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.453 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' F' ' 34' ' ' LEU . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' Q' ' 36' ' ' VAL . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.65 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.722 HG12 ' CG1' ' Q' ' 40' ' ' VAL . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.747 HD11 HD11 ' Q' ' 31' ' ' ILE . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.81 45.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -133.53 93.09 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -133.65 148.36 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.409 ' N ' HD23 ' Q' ' 17' ' ' LEU . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . 0.521 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.584 HG13 HG23 ' R' ' 24' ' ' VAL . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' P' ' 41' ' ' ILE . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.747 HD11 HD11 ' P' ' 41' ' ' ILE . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.663 HG21 HD12 ' P' ' 32' ' ' ILE . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . 0.631 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.728 HD22 HD12 ' R' ' 34' ' ' LEU . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.652 ' CE ' HD23 ' H' ' 17' ' ' LEU . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.742 HG12 HG22 ' P' ' 36' ' ' VAL . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.692 HG22 HG12 ' R' ' 39' ' ' VAL . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.722 ' CG1' HG12 ' P' ' 40' ' ' VAL . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' R' ' 29' ' ' GLY . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.626 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.38 66.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -132.78 160.11 37.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -68.89 167.13 16.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' I' ' 35' ' ' MET . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' R' ' 21' ' ' ALA . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.406 ' CZ ' ' HB1' ' R' ' 30' ' ' ALA . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' R' ' 18' ' ' VAL . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.584 HG23 HG13 ' Q' ' 24' ' ' VAL . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 29' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' R' ' 19' ' ' PHE . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.686 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.728 HD12 HD22 ' Q' ' 34' ' ' LEU . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.6 ' HB2' HD11 ' H' ' 34' ' ' LEU . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.644 HG23 HG23 ' Q' ' 36' ' ' VAL . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.692 HG12 HG22 ' Q' ' 39' ' ' VAL . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' Q' ' 40' ' ' VAL . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' Q' ' 41' ' ' ILE . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.561 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.26 61.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.25 136.62 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -95.2 36.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' B' ' 17' ' ' LEU . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' B' ' 18' ' ' VAL . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.733 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' A' ' 20' ' ' PHE . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 42' ' ' ALA . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.702 HG21 HD12 ' B' ' 31' ' ' ILE . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 34' ' ' LEU . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' B' ' 34' ' ' LEU . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.455 ' SD ' HD21 ' K' ' 17' ' ' LEU . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 36' ' ' VAL . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.044 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 HG13 ' B' ' 40' ' ' VAL . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.284 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 18' ' ' VAL . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 1.044 HD13 HG11 ' A' ' 39' ' ' VAL . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 34' ' ' LEU . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 36' ' ' VAL . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.756 HG13 HG13 ' A' ' 39' ' ' VAL . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.547 HG23 HG23 ' C' ' 40' ' ' VAL . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.743 HD12 ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 1.284 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.42 154.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -174.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.508 HG13 HG13 ' B' ' 18' ' ' VAL . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.516 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.886 HD12 HD11 ' C' ' 41' ' ' ILE . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.796 HG21 HD12 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' D' ' 34' ' ' LEU . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.538 HG13 HG23 ' B' ' 36' ' ' VAL . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.781 HG11 HD13 ' C' ' 31' ' ' ILE . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.726 HG12 ' CG1' ' D' ' 40' ' ' VAL . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.886 HD11 HD12 ' C' ' 31' ' ' ILE . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.09 135.28 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -115.96 137.34 52.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.05 -46.67 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.509 HE22 HD23 ' D' ' 17' ' ' LEU . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' D' ' 32' ' ' ILE . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' D' ' 19' ' ' PHE . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.855 HG21 HG21 ' D' ' 39' ' ' VAL . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' E' ' 32' ' ' ILE . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' C' ' 34' ' ' LEU . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.428 ' SD ' HD12 ' M' ' 17' ' ' LEU . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 31' ' ' ILE . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.726 ' CG1' HG12 ' C' ' 40' ' ' VAL . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.671 ' CD1' HD12 ' C' ' 41' ' ' ILE . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.873 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.52 143.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -142.6 115.84 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -76.02 -68.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.836 HD11 HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.891 HG21 HG21 ' E' ' 39' ' ' VAL . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' D' ' 32' ' ' ILE . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' D' ' 34' ' ' LEU . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.891 HG21 HG21 ' E' ' 31' ' ' ILE . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.51 HG23 HG13 ' F' ' 40' ' ' VAL . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.674 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.873 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.556 HG12 ' HD2' ' G' ' 16' ' ' LYS . 25.3 m -55.57 151.88 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -158.75 -179.49 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -51.92 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' F' ' 24' ' ' VAL . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.442 HG21 ' CE2' ' F' ' 20' ' ' PHE . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.435 HD11 HG22 ' F' ' 41' ' ' ILE . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' E' ' 32' ' ' ILE . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.458 ' HG3' HD11 ' O' ' 34' ' ' LEU . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.682 HG12 ' CG1' ' E' ' 39' ' ' VAL . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.76 HG23 HG13 ' G' ' 40' ' ' VAL . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.949 HD11 HG23 ' G' ' 41' ' ' ILE . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 1.009 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -134.18 -176.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -52.09 153.63 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -165.15 147.27 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.556 ' HD2' HG12 ' F' ' 12' ' ' VAL . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.599 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.537 HD21 ' HB2' ' G' ' 30' ' ' ALA . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.688 HD12 HD11 ' G' ' 41' ' ' ILE . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.677 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' F' ' 34' ' ' LEU . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.646 HG23 HG23 ' F' ' 39' ' ' VAL . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.76 HG13 HG23 ' F' ' 40' ' ' VAL . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.949 HG23 HD11 ' F' ' 41' ' ' ILE . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 1.009 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t 60.79 61.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 51.73 44.6 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -63.64 176.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' H' ' 27' ' ' ASN . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.576 ' HB2' HG11 ' H' ' 24' ' ' VAL . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.513 HG21 HG21 ' H' ' 39' ' ' VAL . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.677 HG21 HD12 ' G' ' 32' ' ' ILE . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.662 HD22 HD12 ' I' ' 34' ' ' LEU . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.557 HG13 HG23 ' I' ' 39' ' ' VAL . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' I' ' 40' ' ' VAL . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.615 HG22 HG22 ' I' ' 41' ' ' ILE . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 1.176 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -52.32 155.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.91 108.27 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.95 153.4 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.78 99.01 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.683 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.698 HG21 HG21 ' I' ' 39' ' ' VAL . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.415 HG21 HD12 ' H' ' 32' ' ' ILE . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.662 HD12 HD22 ' H' ' 34' ' ' LEU . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.665 ' HG3' HD11 ' R' ' 34' ' ' LEU . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.698 HG21 HG21 ' I' ' 31' ' ' ILE . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' H' ' 40' ' ' VAL . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.678 HD12 ' OXT' ' I' ' 42' ' ' ALA . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 1.176 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.989 0.423 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 t -99.58 75.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -113.26 42.04 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 56.75 36.67 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.918 HD12 HD11 ' K' ' 17' ' ' LEU . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.669 HG13 HG23 ' K' ' 18' ' ' VAL . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' K' ' 32' ' ' ILE . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.466 HD12 ' HD2' ' J' ' 19' ' ' PHE . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.582 HD23 ' HG ' ' K' ' 34' ' ' LEU . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.453 ' H ' HG12 ' K' ' 36' ' ' VAL . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.77 HG11 HG13 ' K' ' 31' ' ' ILE . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 HG13 ' K' ' 40' ' ' VAL . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.809 HG21 ' HA2' ' K' ' 29' ' ' GLY . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.84 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' K' ' 12' ' ' VAL . 20.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' K' ' 11' ' ' GLU . 33.1 m -103.91 38.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -136.0 171.46 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -127.41 -41.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.918 HD11 HD12 ' J' ' 17' ' ' LEU . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.694 ' CG1' HG12 ' L' ' 18' ' ' VAL . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.569 ' HE1' ' HB1' ' K' ' 30' ' ' ALA . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' K' ' 24' ' ' VAL . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' K' ' 20' ' ' PHE . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.809 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.569 ' HB1' ' HE1' ' K' ' 19' ' ' PHE . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.77 HG13 HG11 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.582 HG23 ' CG2' ' L' ' 32' ' ' ILE . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.61 ' O ' HG13 ' K' ' 36' ' ' VAL . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' L' ' 34' ' ' LEU . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.61 HG13 ' O ' ' K' ' 33' ' ' GLY . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.529 HG11 HG21 ' K' ' 31' ' ' ILE . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.586 HG13 HG23 ' J' ' 40' ' ' VAL . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.407 HG23 ' HA3' ' K' ' 29' ' ' GLY . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.925 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.84 139.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -133.72 -176.28 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -116.67 -57.69 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.498 ' C ' HD13 ' L' ' 17' ' ' LEU . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG1' ' K' ' 18' ' ' VAL . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.507 ' CG2' HG13 ' K' ' 24' ' ' VAL . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.736 HG23 HG23 ' K' ' 31' ' ' ILE . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' K' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.456 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.879 HD12 HD22 ' K' ' 34' ' ' LEU . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.489 ' HB2' HD11 ' C' ' 34' ' ' LEU . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.558 HG22 HG12 ' M' ' 36' ' ' VAL . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' M' ' 39' ' ' VAL . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.75 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.421 HD11 HG13 ' L' ' 31' ' ' ILE . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.975 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.473 ' O ' HG22 ' M' ' 12' ' ' VAL . 9.9 p -109.32 31.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -165.21 135.44 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -163.07 116.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' M' ' 18' ' ' VAL . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.626 ' CG1' HG22 ' N' ' 18' ' ' VAL . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.422 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 20' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' M' ' 24' ' ' VAL . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' M' ' 20' ' ' PHE . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.521 HD13 HG12 ' N' ' 31' ' ' ILE . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.521 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' L' ' 34' ' ' LEU . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.662 ' HE1' HD23 ' C' ' 17' ' ' LEU . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.558 HG12 HG22 ' L' ' 36' ' ' VAL . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' L' ' 39' ' ' VAL . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.75 HG13 HG23 ' L' ' 40' ' ' VAL . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 1.181 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 1.181 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.7 -37.18 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -56.65 163.1 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -118.07 -69.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.438 HD23 ' N ' ' N' ' 18' ' ' VAL . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.626 HG22 ' CG1' ' M' ' 18' ' ' VAL . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.531 ' HB3' HG11 ' N' ' 24' ' ' VAL . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.531 HG11 ' HB3' ' N' ' 20' ' ' PHE . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.521 HG12 HD13 ' M' ' 31' ' ' ILE . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.54 HD12 HG21 ' O' ' 32' ' ' ILE . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.57 ' O ' HG13 ' N' ' 36' ' ' VAL . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.546 HD23 HD12 ' M' ' 34' ' ' LEU . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.418 ' HE1' HE22 ' D' ' 15' ' ' GLN . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' N' ' 33' ' ' GLY . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.51 HG13 HD13 ' N' ' 31' ' ' ILE . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' M' ' 40' ' ' VAL . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.888 HD12 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.888 ' OXT' HD12 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -111.69 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.16 141.38 3.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.72 117.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.433 HD23 ' N ' ' O' ' 18' ' ' VAL . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.433 ' N ' HD23 ' O' ' 17' ' ' LEU . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' O' ' 30' ' ' ALA . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.524 ' O ' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.945 HG13 HG23 ' P' ' 24' ' ' VAL . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.4 ' HB2' HG11 ' O' ' 24' ' ' VAL . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' O' ' 19' ' ' PHE . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.434 HG12 HD11 ' O' ' 41' ' ' ILE . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.54 HG21 HD12 ' N' ' 32' ' ' ILE . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.575 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.611 HD13 ' H ' ' P' ' 34' ' ' LEU . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.643 HG23 HG23 ' P' ' 36' ' ' VAL . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.597 HG13 HG23 ' N' ' 40' ' ' VAL . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.579 HG23 HD11 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.42 167.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -148.78 151.58 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -124.74 -67.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.445 ' HB2' ' HE1' ' F' ' 35' ' ' MET . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' P' ' 21' ' ' ALA . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.447 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.945 HG23 HG13 ' O' ' 24' ' ' VAL . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 HD11 ' P' ' 41' ' ' ILE . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.55 HD12 HG21 ' Q' ' 32' ' ' ILE . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.611 ' H ' HD13 ' O' ' 34' ' ' LEU . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.689 HG13 HG23 ' Q' ' 36' ' ' VAL . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.509 HG13 HD13 ' P' ' 31' ' ' ILE . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.602 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' Q' ' 41' ' ' ILE . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.64 -32.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -88.11 139.36 30.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -124.86 148.35 48.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.714 ' HB ' HG12 ' R' ' 18' ' ' VAL . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . 0.437 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' Q' ' 22' ' ' GLU . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . 0.644 ' HA3' HG21 ' Q' ' 41' ' ' ILE . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.488 HD12 HD11 ' Q' ' 41' ' ' ILE . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.55 HG21 HD12 ' P' ' 32' ' ' ILE . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.818 HD22 HD12 ' R' ' 34' ' ' LEU . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.829 HG13 HG23 ' R' ' 36' ' ' VAL . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.499 ' HB ' HG12 ' R' ' 39' ' ' VAL . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.602 HG13 HG23 ' P' ' 40' ' ' VAL . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.644 HG21 ' HA3' ' Q' ' 29' ' ' GLY . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.82 170.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -93.88 155.71 17.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -162.36 160.37 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.714 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' R' ' 32' ' ' ILE . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 22' ' ' GLU . . . . . 0.63 ' O ' HG23 ' R' ' 24' ' ' VAL . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.63 HG23 ' O ' ' R' ' 22' ' ' GLU . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.451 HD11 HG11 ' Q' ' 36' ' ' VAL . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.789 HD13 ' CE2' ' R' ' 19' ' ' PHE . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.818 HD12 HD22 ' Q' ' 34' ' ' LEU . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' I' ' 17' ' ' LEU . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.829 HG23 HG13 ' Q' ' 36' ' ' VAL . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.516 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.65 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.43 134.43 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.47 149.64 33.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.36 -46.5 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' K' ' 35' ' ' MET . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' K' ' 35' ' ' MET . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 32' ' ' ILE . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.939 HD11 HG21 ' A' ' 41' ' ' ILE . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 19' ' ' PHE . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 HD12 ' B' ' 34' ' ' LEU . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.977 HG13 HG23 ' B' ' 36' ' ' VAL . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' HG22 ' B' ' 39' ' ' VAL . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG23 HG13 ' B' ' 40' ' ' VAL . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.939 HG21 HD11 ' A' ' 31' ' ' ILE . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.878 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.958 HD22 HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.637 ' HB ' HG13 ' C' ' 18' ' ' VAL . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.878 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.595 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' C' ' 31' ' ' ILE . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.651 HG23 HG23 ' C' ' 32' ' ' ILE . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 34' ' ' LEU . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.977 HG23 HG13 ' A' ' 36' ' ' VAL . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.564 HG22 ' CG1' ' A' ' 39' ' ' VAL . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 40' ' ' VAL . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.759 HG13 HG22 ' C' ' 41' ' ' ILE . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 1.096 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.09 119.87 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -54.36 159.14 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -129.02 -72.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.958 HD12 HD22 ' B' ' 17' ' ' LEU . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.637 HG13 ' HB ' ' B' ' 18' ' ' VAL . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.475 ' HE1' HG11 ' D' ' 24' ' ' VAL . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' D' ' 24' ' ' VAL . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 1.096 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.73 HG21 HG21 ' C' ' 39' ' ' VAL . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.765 HD11 HD11 ' C' ' 17' ' ' LEU . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.575 ' SD ' HD23 ' L' ' 17' ' ' LEU . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' D' ' 36' ' ' VAL . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.73 HG21 HG21 ' C' ' 31' ' ' ILE . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' D' ' 40' ' ' VAL . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.759 HG22 HG13 ' B' ' 41' ' ' ILE . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -139.58 146.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -119.3 148.18 43.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -106.36 -70.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.719 ' CD1' HD11 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' C' ' 24' ' ' VAL . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.729 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' D' ' 41' ' ' ILE . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.956 HG21 HG11 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' D' ' 17' ' ' LEU . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.578 HD22 ' HG ' ' E' ' 34' ' ' LEU . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' C' ' 36' ' ' VAL . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.956 HG11 HG21 ' D' ' 31' ' ' ILE . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.786 HG23 HG13 ' E' ' 40' ' ' VAL . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.723 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.723 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.05 150.23 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -51.8 147.62 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 177.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.55 ' CE2' HG11 ' F' ' 24' ' ' VAL . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.658 HG13 ' CG1' ' F' ' 24' ' ' VAL . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.698 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.82 HG21 HG11 ' E' ' 39' ' ' VAL . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' E' ' 17' ' ' LEU . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD22 ' D' ' 34' ' ' LEU . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.602 ' HE3' ' HB2' ' O' ' 17' ' ' LEU . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.617 HG23 HG13 ' F' ' 36' ' ' VAL . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.82 HG11 HG21 ' E' ' 31' ' ' ILE . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.786 HG13 HG23 ' D' ' 40' ' ' VAL . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.953 HD11 HG23 ' F' ' 41' ' ' ILE . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.762 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.608 HG22 ' CD2' ' F' ' 13' ' ' HIS . 10.7 p -145.42 135.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.608 ' CD2' HG22 ' F' ' 12' ' ' VAL . 31.5 m-70 51.59 62.33 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -153.1 171.15 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.824 HD12 HD11 ' F' ' 32' ' ' ILE . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.676 ' CZ ' ' HB1' ' F' ' 30' ' ' ALA . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.505 ' CZ ' HG21 ' G' ' 24' ' ' VAL . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG13 ' E' ' 24' ' ' VAL . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.712 HG12 HD11 ' F' ' 41' ' ' ILE . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.824 HD11 HD12 ' F' ' 17' ' ' LEU . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.88 HD22 HD12 ' G' ' 34' ' ' LEU . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.547 ' HG2' HD11 ' P' ' 34' ' ' LEU . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' E' ' 36' ' ' VAL . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' G' ' 39' ' ' VAL . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' G' ' 40' ' ' VAL . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.953 HG23 HD11 ' E' ' 41' ' ' ILE . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.769 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 m -111.98 142.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -143.18 112.46 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -148.87 174.32 12.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.757 ' CE1' HD13 ' G' ' 32' ' ' ILE . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' F' ' 21' ' ' ALA . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.505 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' H' ' 30' ' ' ALA . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.606 HD12 HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' H' ' 32' ' ' ILE . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.88 HD12 HD22 ' F' ' 34' ' ' LEU . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.6 ' SD ' HD23 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.544 HG21 HD11 ' G' ' 31' ' ' ILE . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' H' ' 39' ' ' VAL . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.635 HG13 HG23 ' F' ' 40' ' ' VAL . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' H' ' 29' ' ' GLY . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.769 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.54 135.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -134.76 76.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -95.39 173.38 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.807 HD11 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' H' ' 30' ' ' ALA . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.668 HG12 HG21 ' H' ' 39' ' ' VAL . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' G' ' 32' ' ' ILE . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.84 HD23 HD23 ' G' ' 34' ' ' LEU . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.537 ' SD ' HD23 ' Q' ' 17' ' ' LEU . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.637 HG13 HG23 ' I' ' 36' ' ' VAL . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' G' ' 39' ' ' VAL . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' I' ' 40' ' ' VAL . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' I' ' 29' ' ' GLY . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.96 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -114.1 -55.5 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -176.47 140.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -84.5 63.3 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.603 ' CB ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' H' ' 41' ' ' ILE . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.552 HG21 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.69 HG21 HD12 ' H' ' 32' ' ' ILE . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' H' ' 34' ' ' LEU . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.637 HG23 HG13 ' H' ' 36' ' ' VAL . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.555 HG23 HG13 ' H' ' 39' ' ' VAL . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' H' ' 40' ' ' VAL . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.644 HG22 HD11 ' H' ' 41' ' ' ILE . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 m -99.17 47.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.42 149.8 30.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.0 38.08 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.518 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.518 HD13 ' O ' ' J' ' 30' ' ' ALA . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.41 ' O ' HG23 ' K' ' 36' ' ' VAL . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.401 ' N ' HG22 ' J' ' 36' ' ' VAL . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.482 HG13 HG21 ' J' ' 31' ' ' ILE . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.656 HG23 HG13 ' K' ' 40' ' ' VAL . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.492 HG21 ' HA2' ' K' ' 29' ' ' GLY . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.427 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.83 139.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.28 156.85 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -109.75 -67.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 17' ' ' LEU . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.454 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' K' ' 24' ' ' VAL . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' K' ' 20' ' ' PHE . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' L' ' 31' ' ' ILE . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' L' ' 32' ' ' ILE . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.43 HD22 ' HG ' ' L' ' 34' ' ' LEU . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.642 ' HE1' HD23 ' A' ' 17' ' ' LEU . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.41 HG23 ' O ' ' J' ' 36' ' ' VAL . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.699 HG11 HD12 ' L' ' 31' ' ' ILE . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' J' ' 40' ' ' VAL . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.12 142.16 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -161.33 163.71 30.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -131.96 107.73 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' M' ' 17' ' ' LEU . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' M' ' 21' ' ' ALA . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HA ' HG13 ' M' ' 24' ' ' VAL . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.699 HD12 HG11 ' K' ' 39' ' ' VAL . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.667 HG23 ' HA ' ' K' ' 32' ' ' ILE . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.556 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.452 HD22 HD12 ' M' ' 34' ' ' LEU . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 17' ' ' LEU . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.556 HG13 ' O ' ' L' ' 33' ' ' GLY . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.546 HG13 HG23 ' K' ' 40' ' ' VAL . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 m -88.5 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -133.65 175.75 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -127.98 -71.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' L' ' 17' ' ' LEU . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' L' ' 21' ' ' ALA . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' L' ' 24' ' ' VAL . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.457 HD12 HG21 ' N' ' 32' ' ' ILE . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.632 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.452 HD12 HD22 ' L' ' 34' ' ' LEU . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' N' ' 36' ' ' VAL . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.721 HG22 HG12 ' N' ' 39' ' ' VAL . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' N' ' 40' ' ' VAL . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.53 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.59 77.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -60.2 159.79 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -148.03 66.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' O' ' 18' ' ' VAL . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.457 HG21 HD12 ' M' ' 32' ' ' ILE . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' M' ' 36' ' ' VAL . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.744 HG22 HG12 ' O' ' 39' ' ' VAL . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.562 HG23 HG13 ' O' ' 40' ' ' VAL . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 1.163 HD13 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 1.163 ' O ' HD13 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.41 HG13 HG23 ' P' ' 12' ' ' VAL . 9.7 p -101.23 147.16 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -126.47 169.92 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 95.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' P' ' 32' ' ' ILE . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.606 ' HE2' HG11 ' P' ' 24' ' ' VAL . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.423 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.595 HG12 ' HB ' ' P' ' 24' ' ' VAL . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' O' ' 41' ' ' ILE . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.484 HD12 HD11 ' O' ' 41' ' ' ILE . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.445 HD12 HD12 ' P' ' 32' ' ' ILE . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.599 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.903 HD22 HD12 ' P' ' 34' ' ' LEU . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.528 ' HB2' HD11 ' F' ' 34' ' ' LEU . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.599 HG13 ' O ' ' O' ' 33' ' ' GLY . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.744 HG12 HG22 ' N' ' 39' ' ' VAL . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' N' ' 40' ' ' VAL . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.663 HG23 ' CG2' ' N' ' 41' ' ' ILE . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.893 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.957 0.408 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.41 HG23 HG13 ' O' ' 12' ' ' VAL . 9.8 p -140.0 134.39 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -85.81 -58.79 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 54.62 44.04 29.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.828 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.798 HG13 HG23 ' O' ' 18' ' ' VAL . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.572 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' Q' ' 21' ' ' ALA . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' O' ' 20' ' ' PHE . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.68 HG23 HG23 ' Q' ' 32' ' ' ILE . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.613 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.903 HD12 HD22 ' O' ' 34' ' ' LEU . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.517 ' HB2' HD11 ' G' ' 34' ' ' LEU . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.613 HG13 ' O ' ' P' ' 33' ' ' GLY . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.712 HG12 HG22 ' O' ' 39' ' ' VAL . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.557 HG13 HG23 ' O' ' 40' ' ' VAL . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.537 HD12 HD11 ' Q' ' 31' ' ' ILE . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.893 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 130.91 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -171.0 151.85 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -173.5 160.96 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.812 HD11 HD11 ' Q' ' 32' ' ' ILE . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . 0.629 ' CE1' HG11 ' R' ' 24' ' ' VAL . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' R' ' 21' ' ' ALA . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' P' ' 20' ' ' PHE . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.801 HD12 HD11 ' Q' ' 41' ' ' ILE . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.812 HD11 HD11 ' Q' ' 17' ' ' LEU . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . 0.663 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' P' ' 34' ' ' LEU . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.469 ' HE3' HD21 ' G' ' 34' ' ' LEU . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.663 HG13 ' O ' ' Q' ' 33' ' ' GLY . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.728 ' CG1' HD13 ' Q' ' 31' ' ' ILE . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.536 HG13 HG23 ' P' ' 40' ' ' VAL . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.801 HD11 HD12 ' Q' ' 31' ' ' ILE . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.565 ' HB3' ' C ' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.2 145.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.01 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -107.91 163.94 12.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.768 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 20' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' R' ' 24' ' ' VAL . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.629 HG11 ' CE1' ' Q' ' 20' ' ' PHE . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.77 HG21 HG21 ' R' ' 39' ' ' VAL . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.623 HG21 HD12 ' Q' ' 32' ' ' ILE . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' R' R ' 33' ' ' GLY . . . . . 0.461 ' N ' HD13 ' R' ' 32' ' ' ILE . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.445 HD12 HD12 ' Q' ' 34' ' ' LEU . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.62 ' SD ' HD11 ' H' ' 34' ' ' LEU . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.513 HG12 HG22 ' Q' ' 36' ' ' VAL . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.77 HG21 HG21 ' R' ' 31' ' ' ILE . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.508 HG23 HG23 ' Q' ' 40' ' ' VAL . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG11 ' OE1' ' B' ' 11' ' ' GLU . 28.8 m -129.27 174.63 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.27 149.55 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.477 ' O ' HG13 ' B' ' 12' ' ' VAL . 74.0 m-70 -108.97 -35.8 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' B' ' 12' ' ' VAL . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' ASN . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.682 ' HB3' HG11 ' A' ' 24' ' ' VAL . 5.3 p-10 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 30' ' ' ALA . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 HG23 ' B' ' 32' ' ' ILE . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.684 ' O ' HG13 ' B' ' 36' ' ' VAL . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG11 HD12 ' B' ' 31' ' ' ILE . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 HG13 ' B' ' 40' ' ' VAL . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.43 ' OE1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' HIS . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 32' ' ' ILE . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' C' ' 18' ' ' VAL . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.504 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.615 ' CG1' HD11 ' B' ' 41' ' ' ILE . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.771 HD12 HG21 ' C' ' 32' ' ' ILE . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.487 ' HG3' HD12 ' L' ' 34' ' ' LEU . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.684 HG13 ' O ' ' A' ' 36' ' ' VAL . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.519 HG13 HG23 ' A' ' 40' ' ' VAL . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 41' ' ' ILE . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.837 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.948 0.404 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.531 HG21 ' O ' ' D' ' 11' ' ' GLU . 13.3 p -106.95 136.67 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -132.92 97.56 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.61 ' CB ' HG22 ' D' ' 12' ' ' VAL . 15.6 m-70 -135.52 176.54 8.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HD3' HG21 ' D' ' 12' ' ' VAL . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.616 ' CD2' HD11 ' C' ' 32' ' ' ILE . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' B' ' 18' ' ' VAL . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.613 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' C' ' 27' ' ' ASN . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.634 ' HB2' HG11 ' C' ' 24' ' ' VAL . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.759 HD12 HD11 ' C' ' 41' ' ' ILE . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.771 HG21 HD12 ' B' ' 32' ' ' ILE . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.702 ' HB2' HD13 ' L' ' 34' ' ' LEU . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' D' ' 36' ' ' VAL . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.595 ' CG2' HG22 ' D' ' 39' ' ' VAL . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' D' ' 40' ' ' VAL . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.759 HD11 HD12 ' C' ' 31' ' ' ILE . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.704 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.531 ' O ' HG21 ' C' ' 12' ' ' VAL . 57.4 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' C' ' 14' ' ' HIS . 58.9 t -93.23 125.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -125.48 -36.81 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' E' ' 24' ' ' VAL . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.561 ' HB2' HG11 ' D' ' 24' ' ' VAL . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' E' ' 31' ' ' ILE . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.705 HD12 HG21 ' E' ' 32' ' ' ILE . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.421 ' HB2' HD13 ' M' ' 34' ' ' LEU . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' C' ' 36' ' ' VAL . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.595 HG22 ' CG2' ' C' ' 39' ' ' VAL . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.638 HG23 HG23 ' E' ' 40' ' ' VAL . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.574 HG22 HG22 ' E' ' 41' ' ' ILE . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.68 47.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -83.27 119.44 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -69.26 -74.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.9 HD11 HD11 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.432 HG23 HG23 ' F' ' 18' ' ' VAL . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.678 ' CZ ' ' HB1' ' E' ' 30' ' ' ALA . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' D' ' 21' ' ' ALA . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.45 HG21 ' HE1' ' D' ' 20' ' ' PHE . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' E' ' 30' ' ' ALA . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.46 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' D' ' 31' ' ' ILE . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.9 HD11 HD11 ' E' ' 17' ' ' LEU . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.453 ' O ' HG12 ' E' ' 36' ' ' VAL . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.405 HD22 HD12 ' F' ' 34' ' ' LEU . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.578 ' HB2' HD13 ' N' ' 34' ' ' LEU . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.817 HG23 HG13 ' D' ' 36' ' ' VAL . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.762 HG12 HG22 ' F' ' 40' ' ' VAL . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.724 HD11 HG23 ' F' ' 41' ' ' ILE . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.1 -34.27 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 63.62 63.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -120.23 154.75 34.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.788 HD11 HD11 ' F' ' 32' ' ' ILE . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.58 HG13 HG23 ' G' ' 18' ' ' VAL . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.591 ' HB2' HD13 ' F' ' 32' ' ' ILE . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' G' ' 21' ' ' ALA . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' E' ' 41' ' ' ILE . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.666 HD11 HG13 ' G' ' 31' ' ' ILE . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' G' ' 34' ' ' LEU . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.657 HG13 HG13 ' E' ' 36' ' ' VAL . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.593 HG11 HG12 ' F' ' 31' ' ' ILE . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.762 HG22 HG12 ' E' ' 40' ' ' VAL . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.724 HG23 HD11 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.738 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.81 170.13 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -132.02 134.07 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.94 -175.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' H' ' 18' ' ' VAL . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.672 ' HB2' HD13 ' G' ' 32' ' ' ILE . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' F' ' 21' ' ' ALA . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.632 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.645 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.632 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' G' ' 39' ' ' VAL . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.843 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' F' ' 34' ' ' LEU . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.426 ' SD ' HD12 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' G' ' 31' ' ' ILE . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.699 HG21 ' HA2' ' H' ' 29' ' ' GLY . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 m -124.92 66.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -138.11 156.25 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -56.67 -61.18 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.536 HD22 HD11 ' H' ' 32' ' ' ILE . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' G' ' 18' ' ' VAL . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.699 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.99 HG21 HG11 ' H' ' 39' ' ' VAL . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.843 HG21 HD12 ' G' ' 32' ' ' ILE . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' R' ' 34' ' ' LEU . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' I' ' 36' ' ' VAL . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.99 HG11 HG21 ' H' ' 31' ' ' ILE . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.745 HG21 ' HA2' ' I' ' 29' ' ' GLY . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.51 148.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -93.29 -45.75 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -67.91 138.69 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -135.58 101.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.468 HD21 HD11 ' I' ' 32' ' ' ILE . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.41 ' N ' HD23 ' I' ' 17' ' ' LEU . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.669 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.67 ' OD1' ' HB2' ' I' ' 30' ' ' ALA . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.745 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' OD1' ' I' ' 27' ' ' ASN . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.877 HG23 HG23 ' H' ' 31' ' ' ILE . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.755 HG21 HD12 ' H' ' 32' ' ' ILE . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.538 ' C ' HD22 ' I' ' 34' ' ' LEU . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.538 HD22 ' C ' ' I' ' 33' ' ' GLY . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.77 ' HE2' HD23 ' R' ' 17' ' ' LEU . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' H' ' 36' ' ' VAL . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.499 HG23 ' HA3' ' I' ' 29' ' ' GLY . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.6 41.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.202 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -87.64 70.54 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -119.86 -74.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.706 ' HB2' HD22 ' K' ' 17' ' ' LEU . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.578 ' H ' HD23 ' K' ' 17' ' ' LEU . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' J' ' 32' ' ' ILE . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' C ' ' K' ' 21' ' ' ALA . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.633 HG21 HG13 ' J' ' 39' ' ' VAL . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' J' ' 19' ' ' PHE . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' K' ' 34' ' ' LEU . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.662 ' H ' HG12 ' K' ' 36' ' ' VAL . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.633 HG13 HG21 ' J' ' 31' ' ' ILE . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.619 HG23 HG13 ' K' ' 40' ' ' VAL . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.454 HG22 HD11 ' K' ' 31' ' ' ILE . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.33 46.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.92 122.11 31.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -52.73 -40.3 62.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' J' ' 17' ' ' LEU . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' L' ' 32' ' ' ILE . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.454 HD11 HG22 ' J' ' 41' ' ' ILE . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.587 HD11 HD11 ' K' ' 17' ' ' LEU . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' J' ' 34' ' ' LEU . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.662 HG12 ' H ' ' J' ' 36' ' ' VAL . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.619 HG13 HG23 ' J' ' 40' ' ' VAL . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.93 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.428 HG13 ' ND1' ' L' ' 13' ' ' HIS . 7.3 p -123.28 -35.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.428 ' ND1' HG13 ' L' ' 12' ' ' VAL . 5.4 m-70 -65.9 96.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -124.64 -173.96 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.538 HE22 ' HB3' ' C' ' 35' ' ' MET . 8.3 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' K' ' 17' ' ' LEU . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' M' ' 18' ' ' VAL . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.533 ' HE2' HG21 ' M' ' 24' ' ' VAL . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' K' ' 21' ' ' ALA . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.415 HG13 HD11 ' L' ' 41' ' ' ILE . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.696 HD12 ' CD2' ' K' ' 19' ' ' PHE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.532 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' C' ' 35' ' ' MET . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.611 ' SD ' HD12 ' C' ' 17' ' ' LEU . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.575 ' H ' HG12 ' M' ' 36' ' ' VAL . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.801 ' HB ' HG22 ' M' ' 41' ' ' ILE . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.93 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -98.83 135.69 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -141.66 145.26 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -81.07 -36.7 30.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.883 HD12 HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' L' ' 18' ' ' VAL . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' N' ' 32' ' ' ILE . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.546 ' C ' ' HB3' ' L' ' 21' ' ' ALA . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' L' ' 20' ' ' PHE . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.635 HD12 ' N ' ' M' ' 33' ' ' GLY . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.635 ' N ' HD12 ' M' ' 32' ' ' ILE . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.469 HD22 HD12 ' N' ' 34' ' ' LEU . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.663 HG22 HG12 ' N' ' 36' ' ' VAL . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.846 HG22 HG12 ' N' ' 39' ' ' VAL . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.704 HG23 HG13 ' N' ' 40' ' ' VAL . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.801 HG22 ' HB ' ' L' ' 41' ' ' ILE . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.914 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.11 36.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -90.66 138.58 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.85 110.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.883 HD22 HD12 ' M' ' 17' ' ' LEU . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.537 ' HE1' HG23 ' N' ' 24' ' ' VAL . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HB3' ' M' ' 21' ' ' ALA . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.537 HG23 ' HE1' ' N' ' 20' ' ' PHE . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.598 ' HB ' HG23 ' O' ' 31' ' ' ILE . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.733 HG21 ' CE2' ' M' ' 19' ' ' PHE . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.501 ' O ' HG13 ' N' ' 36' ' ' VAL . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' E' ' 35' ' ' MET . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.75 ' HE1' HD23 ' E' ' 17' ' ' LEU . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' O' ' 36' ' ' VAL . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.846 HG12 HG22 ' M' ' 39' ' ' VAL . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.704 HG13 HG23 ' M' ' 40' ' ' VAL . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.486 HD13 ' C ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 1.017 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 57.22 65.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -144.49 119.91 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.59 -175.85 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.945 HD21 HD11 ' O' ' 32' ' ' ILE . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.503 HG13 HG23 ' P' ' 18' ' ' VAL . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.638 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' P' ' 24' ' ' VAL . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.726 ' O ' HD13 ' O' ' 31' ' ' ILE . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.726 HD13 ' O ' ' O' ' 30' ' ' ALA . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.945 HD11 HD21 ' O' ' 17' ' ' LEU . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' N' ' 36' ' ' VAL . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.681 HG13 HG23 ' P' ' 39' ' ' VAL . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.63 HG23 HG13 ' P' ' 40' ' ' VAL . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.758 HD11 HD11 ' P' ' 31' ' ' ILE . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 1.017 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.72 144.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -142.09 106.43 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 54.77 61.48 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' G' ' 35' ' ' MET . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.503 HG23 HG13 ' O' ' 18' ' ' VAL . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.805 ' HB2' HD12 ' P' ' 32' ' ' ILE . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' Q' ' 24' ' ' VAL . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' C ' ' Q' ' 21' ' ' ALA . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' O' ' 24' ' ' VAL . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.758 HD11 HD11 ' O' ' 41' ' ' ILE . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' P' ' 19' ' ' PHE . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.601 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' G' ' 17' ' ' LEU . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.601 HG13 ' O ' ' P' ' 33' ' ' GLY . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.683 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.63 HG13 HG23 ' O' ' 40' ' ' VAL . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' Q' ' 31' ' ' ILE . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.687 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.88 94.18 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -123.68 36.12 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -50.71 147.46 4.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.561 HG13 HG23 ' R' ' 18' ' ' VAL . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.448 ' C ' ' HB3' ' P' ' 21' ' ' ALA . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' P' ' 20' ' ' PHE . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . 0.705 ' O ' HD13 ' Q' ' 31' ' ' ILE . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.705 HD13 ' O ' ' Q' ' 30' ' ' ALA . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.431 HD13 ' N ' ' Q' ' 33' ' ' GLY . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . 0.431 ' N ' HD13 ' Q' ' 32' ' ' ILE . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' R' ' 34' ' ' LEU . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' P' ' 36' ' ' VAL . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.683 HG12 ' CG1' ' P' ' 39' ' ' VAL . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.655 HG23 HG13 ' R' ' 40' ' ' VAL . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.645 HD12 HD11 ' R' ' 31' ' ' ILE . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 1.172 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.66 43.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -108.8 150.36 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -51.92 132.38 32.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.77 HD23 ' HE2' ' I' ' 35' ' ' MET . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.561 HG23 HG13 ' Q' ' 18' ' ' VAL . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' R' ' 32' ' ' ILE . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 29' ' ' GLY . . . . . 0.569 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.645 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' R' ' 19' ' ' PHE . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 33' ' ' GLY . . . . . 0.682 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.585 HD11 ' HG2' ' I' ' 35' ' ' MET . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' I' ' 17' ' ' LEU . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.682 HG13 ' O ' ' R' ' 33' ' ' GLY . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.645 HG12 HG22 ' Q' ' 39' ' ' VAL . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.655 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.554 HG22 HD12 ' Q' ' 41' ' ' ILE . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 1.172 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.914 0.388 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.58 -35.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -99.17 131.5 45.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.24 49.81 1.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.946 HD23 HD13 ' B' ' 17' ' ' LEU . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.787 HG22 HG12 ' B' ' 18' ' ' VAL . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 31' ' ' ILE . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.592 HD12 HG21 ' B' ' 32' ' ' ILE . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' B' ' 34' ' ' LEU . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' HE1' ' B' ' 35' ' ' MET . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.779 HG11 HD12 ' B' ' 31' ' ' ILE . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.813 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.946 HD13 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.787 HG12 HG22 ' A' ' 18' ' ' VAL . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' C' ' 30' ' ' ALA . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.779 HD12 HG11 ' A' ' 39' ' ' VAL . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' C' ' 32' ' ' ILE . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' A' ' 34' ' ' LEU . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.623 ' HE1' HD23 ' J' ' 17' ' ' LEU . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' C' ' 36' ' ' VAL . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' B' ' 31' ' ' ILE . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.873 HD13 ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.873 ' O ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' D' ' 11' ' ' GLU . 11.0 m -148.15 136.04 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -170.9 -179.14 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -66.64 -59.84 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.707 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.646 HG13 ' CG2' ' B' ' 18' ' ' VAL . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.488 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.616 HG13 ' CG2' ' D' ' 24' ' ' VAL . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.651 HG23 ' HA ' ' D' ' 31' ' ' ILE . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' B' ' 32' ' ' ILE . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' L' ' 35' ' ' MET . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.847 ' HE1' HD12 ' L' ' 17' ' ' LEU . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' B' ' 36' ' ' VAL . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.709 HG13 HG13 ' D' ' 39' ' ' VAL . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 HG23 ' B' ' 40' ' ' VAL . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.515 HG22 HG22 ' B' ' 41' ' ' ILE . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.842 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.557 ' HA ' HG21 ' C' ' 12' ' ' VAL . 8.2 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.62 124.09 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -113.36 158.25 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -101.05 -75.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.615 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' D' ' 32' ' ' ILE . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.616 ' CG2' HG13 ' C' ' 24' ' ' VAL . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' D' ' 41' ' ' ILE . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.919 HG21 HG11 ' D' ' 39' ' ' VAL . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.798 HG21 ' CE1' ' D' ' 19' ' ' PHE . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.705 HD22 HD12 ' E' ' 34' ' ' LEU . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.524 ' SD ' HD21 ' M' ' 34' ' ' LEU . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.686 ' CG2' HG13 ' E' ' 36' ' ' VAL . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.919 HG11 HG21 ' D' ' 31' ' ' ILE . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.804 HG21 ' HA2' ' E' ' 29' ' ' GLY . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.69 75.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -69.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 51.33 63.56 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' E' ' 32' ' ' ILE . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.541 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.804 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.638 HG13 HD11 ' E' ' 41' ' ' ILE . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.741 HD11 ' CE2' ' E' ' 19' ' ' PHE . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' E' ' 36' ' ' VAL . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.705 HD12 HD22 ' D' ' 34' ' ' LEU . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.407 ' HB2' HD11 ' N' ' 34' ' ' LEU . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.686 HG13 ' CG2' ' D' ' 36' ' ' VAL . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.446 ' H ' HG12 ' E' ' 36' ' ' VAL . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.902 HG22 HG12 ' F' ' 39' ' ' VAL . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.614 HG22 ' CG2' ' F' ' 40' ' ' VAL . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.79 HG21 ' HA2' ' F' ' 29' ' ' GLY . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.463 HG23 HG13 ' G' ' 12' ' ' VAL . 7.1 p -175.31 142.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -133.21 84.12 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -47.72 64.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' G' ' 17' ' ' LEU . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.485 ' HB ' HG12 ' G' ' 18' ' ' VAL . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.53 ' HE1' ' HB1' ' F' ' 30' ' ' ALA . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' E' ' 20' ' ' PHE . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.79 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.53 ' HB1' ' HE1' ' F' ' 19' ' ' PHE . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.703 HD11 HG13 ' E' ' 41' ' ' ILE . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.706 HD12 HD22 ' G' ' 34' ' ' LEU . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' G' ' 36' ' ' VAL . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.902 HG12 HG22 ' E' ' 39' ' ' VAL . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.614 ' CG2' HG22 ' E' ' 40' ' ' VAL . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' G' ' 29' ' ' GLY . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.463 HG13 HG23 ' F' ' 12' ' ' VAL . 12.4 p -128.06 147.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -169.17 108.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -54.19 49.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.414 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.48 ' CD1' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' G' ' 20' ' ' PHE . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.414 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.796 HG21 HG11 ' G' ' 39' ' ' VAL . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.671 HD11 HD11 ' G' ' 17' ' ' LEU . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 HD12 ' F' ' 34' ' ' LEU . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.523 ' HE1' HD23 ' O' ' 17' ' ' LEU . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' H' ' 36' ' ' VAL . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.796 HG11 HG21 ' G' ' 31' ' ' ILE . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' H' ' 29' ' ' GLY . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.496 HG12 ' ND1' ' I' ' 14' ' ' HIS . 7.3 m -51.69 118.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.21 -177.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.71 -170.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' H' ' 32' ' ' ILE . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.747 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' G' ' 20' ' ' PHE . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.497 HG12 HD11 ' G' ' 41' ' ' ILE . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' H' ' 19' ' ' PHE . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.599 HD22 HD13 ' I' ' 34' ' ' LEU . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.77 ' HG3' HD21 ' Q' ' 34' ' ' LEU . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' G' ' 36' ' ' VAL . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.785 HG22 HG12 ' I' ' 39' ' ' VAL . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.553 HG23 HG13 ' I' ' 40' ' ' VAL . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.696 HD12 HG22 ' I' ' 41' ' ' ILE . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.61 133.96 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.15 -178.5 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.496 ' ND1' HG12 ' H' ' 12' ' ' VAL . 50.5 m80 -128.72 154.95 45.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -131.51 107.55 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' R' ' 35' ' ' MET . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.463 HG23 HG13 ' H' ' 18' ' ' VAL . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.492 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.458 HG21 HD11 ' I' ' 17' ' ' LEU . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.567 ' O ' HG13 ' I' ' 36' ' ' VAL . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.599 HD13 HD22 ' H' ' 34' ' ' LEU . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.7 HG12 HG12 ' H' ' 36' ' ' VAL . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.785 HG12 HG22 ' H' ' 39' ' ' VAL . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.553 HG13 HG23 ' H' ' 40' ' ' VAL . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.696 HG22 HD12 ' H' ' 41' ' ' ILE . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.81 91.96 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.25 -71.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -70.69 -38.77 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.811 HD22 ' HB3' ' K' ' 17' ' ' LEU . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.738 HD13 ' CG1' ' J' ' 39' ' ' VAL . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.404 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' K' ' 34' ' ' LEU . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' K' ' 36' ' ' VAL . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.738 ' CG1' HD13 ' J' ' 31' ' ' ILE . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 ' CG1' ' K' ' 40' ' ' VAL . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.668 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -165.25 141.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 57.03 36.33 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -36.69 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.811 ' HB3' HD22 ' J' ' 17' ' ' LEU . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.441 ' O ' HG23 ' K' ' 24' ' ' VAL . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.687 ' HA ' HG23 ' L' ' 24' ' ' VAL . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.701 HD12 HG21 ' L' ' 32' ' ' ILE . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' J' ' 34' ' ' LEU . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.89 HG22 HG12 ' L' ' 36' ' ' VAL . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.799 HG22 HG12 ' L' ' 39' ' ' VAL . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.595 HG23 HG13 ' L' ' 40' ' ' VAL . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.969 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.56 HG13 HG22 ' M' ' 12' ' ' VAL . 61.5 t -92.9 128.2 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -128.2 118.06 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.05 -50.03 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.847 HD12 ' HE1' ' C' ' 35' ' ' MET . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.407 HG12 ' O ' ' L' ' 20' ' ' PHE . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' O ' HG12 ' L' ' 18' ' ' VAL . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' K' ' 24' ' ' VAL . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.701 HG21 HD12 ' K' ' 32' ' ' ILE . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' M' ' 34' ' ' LEU . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.722 ' HG3' HD11 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.89 HG12 HG22 ' K' ' 36' ' ' VAL . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.849 HG22 HG12 ' M' ' 39' ' ' VAL . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' M' ' 40' ' ' VAL . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.56 HG22 HG13 ' L' ' 12' ' ' VAL . 20.5 m -109.75 164.4 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -136.78 70.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -74.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.647 ' HB2' HD12 ' M' ' 32' ' ' ILE . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' N' ' 21' ' ' ALA . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' N' ' 31' ' ' ILE . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' M' ' 19' ' ' PHE . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' L' ' 34' ' ' LEU . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.529 ' SD ' HD11 ' D' ' 34' ' ' LEU . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.678 HG22 HG12 ' N' ' 36' ' ' VAL . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.849 HG12 HG22 ' L' ' 39' ' ' VAL . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.445 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' N' ' 12' ' ' VAL . 6.4 p -128.89 122.71 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -145.6 139.9 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -164.35 104.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.641 HG13 HG23 ' O' ' 18' ' ' VAL . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' M' ' 21' ' ' ALA . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.507 ' O ' ' HB1' ' M' ' 21' ' ' ALA . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.691 HD13 HG21 ' M' ' 39' ' ' VAL . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.599 HD12 HG21 ' O' ' 32' ' ' ILE . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.599 HD12 HD22 ' M' ' 34' ' ' LEU . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.559 ' CG ' HD11 ' E' ' 34' ' ' LEU . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.78 HG22 HG12 ' O' ' 36' ' ' VAL . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.769 HG12 HG22 ' M' ' 39' ' ' VAL . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.426 HD11 HD11 ' O' ' 31' ' ' ILE . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.773 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.61 132.99 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -61.13 165.28 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -61.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.785 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.641 HG23 HG13 ' N' ' 18' ' ' VAL . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.426 HD11 HD11 ' N' ' 41' ' ' ILE . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.825 HD12 HG21 ' P' ' 32' ' ' ILE . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.531 HD12 HD22 ' N' ' 34' ' ' LEU . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.78 HG12 HG22 ' N' ' 36' ' ' VAL . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.721 HG13 HG23 ' P' ' 39' ' ' VAL . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.789 HG23 HG13 ' P' ' 40' ' ' VAL . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.402 HD11 HD11 ' P' ' 31' ' ' ILE . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.777 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.28 109.22 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -158.15 107.93 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -151.75 162.82 40.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' Q' ' 18' ' ' VAL . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' P' ' 32' ' ' ILE . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.412 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.693 HD12 HG21 ' O' ' 39' ' ' VAL . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.825 HG21 HD12 ' O' ' 32' ' ' ILE . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.474 ' HB3' HD23 ' G' ' 34' ' ' LEU . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.447 ' SD ' HD11 ' F' ' 34' ' ' LEU . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.709 ' CG1' HG12 ' Q' ' 36' ' ' VAL . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' O' ' 39' ' ' VAL . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.789 HG13 HG23 ' O' ' 40' ' ' VAL . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' Q' ' 29' ' ' GLY . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.777 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.51 129.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -172.31 145.5 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -58.37 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.651 ' HB ' HG12 ' R' ' 18' ' ' VAL . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.534 ' CD1' HG21 ' R' ' 32' ' ' ILE . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.412 HG11 ' HE1' ' P' ' 20' ' ' PHE . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . 0.438 ' HG2' HD11 ' Q' ' 41' ' ' ILE . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' P' ' 41' ' ' ILE . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.564 HD13 ' CG2' ' P' ' 31' ' ' ILE . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.554 HD12 HG21 ' R' ' 32' ' ' ILE . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . 0.534 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.77 HD21 ' HG3' ' H' ' 35' ' ' MET . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.709 HG12 ' CG1' ' P' ' 36' ' ' VAL . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.928 HG22 HG12 ' R' ' 39' ' ' VAL . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' R' ' 40' ' ' VAL . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.729 HD12 ' N ' ' Q' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.729 ' N ' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.12 123.79 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -143.31 -178.13 5.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -52.07 156.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.651 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.711 ' CD2' HD13 ' R' ' 32' ' ' ILE . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.41 HD12 ' N ' ' R' ' 32' ' ' ILE . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.711 HD13 ' CD2' ' R' ' 19' ' ' PHE . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.659 HD12 ' HG ' ' Q' ' 34' ' ' LEU . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.694 ' CE ' HD23 ' I' ' 17' ' ' LEU . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' Q' ' 36' ' ' VAL . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.928 HG12 HG22 ' Q' ' 39' ' ' VAL . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' Q' ' 40' ' ' VAL . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.969 0.414 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -140.59 143.01 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.14 137.91 45.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.792 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -132.03 36.29 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' K' ' 35' ' ' MET . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' HG12 ' B' ' 18' ' ' VAL . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.572 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 30' ' ' ALA . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD12 HG21 ' B' ' 32' ' ' ILE . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HG ' ' B' ' 34' ' ' LEU . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 36' ' ' VAL . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' B' ' 39' ' ' VAL . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 40' ' ' VAL . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.768 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.853 HD11 HD11 ' B' ' 32' ' ' ILE . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' C' ' 18' ' ' VAL . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' C' ' 24' ' ' VAL . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.4 HG13 HG11 ' B' ' 39' ' ' VAL . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.853 HD11 HD11 ' B' ' 17' ' ' LEU . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.594 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 36' ' ' VAL . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 39' ' ' VAL . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.455 ' HB ' HD13 ' C' ' 41' ' ' ILE . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.768 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.559 HG23 ' O ' ' D' ' 12' ' ' VAL . 7.2 p -164.25 123.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -66.73 153.24 43.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -106.33 -68.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.71 HD13 HD23 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' B' ' 18' ' ' VAL . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' C' ' 20' ' ' PHE . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.669 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' D' ' 31' ' ' ILE . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.437 HG23 ' O ' ' C' ' 32' ' ' ILE . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 1.028 HD22 HD12 ' D' ' 34' ' ' LEU . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.506 ' HB2' HD21 ' L' ' 34' ' ' LEU . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' D' ' 36' ' ' VAL . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 39' ' ' VAL . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.574 HG23 HG13 ' D' ' 40' ' ' VAL . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.584 HG23 ' CG1' ' D' ' 41' ' ' ILE . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.984 0.421 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.559 ' O ' HG23 ' C' ' 12' ' ' VAL . 27.6 m -142.45 135.81 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -134.71 159.3 41.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -64.45 -70.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' M' ' 35' ' ' MET . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.677 HG23 HG13 ' C' ' 18' ' ' VAL . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.542 HG13 ' HB ' ' E' ' 24' ' ' VAL . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' C' ' 31' ' ' ILE . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.427 HG21 HD12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 1.028 HD12 HD22 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.875 ' HE2' HD21 ' M' ' 34' ' ' LEU . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' C' ' 36' ' ' VAL . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.784 HG13 HG23 ' E' ' 39' ' ' VAL . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 40' ' ' VAL . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' E' ' 41' ' ' ILE . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 1.036 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.562 HG21 ' O ' ' F' ' 12' ' ' VAL . 7.8 p -166.61 145.41 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -75.51 -175.45 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -129.44 -70.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' E' ' 18' ' ' VAL . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.596 HG13 HG13 ' D' ' 18' ' ' VAL . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' F' ' 21' ' ' ALA . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.699 ' CD1' HG11 ' D' ' 39' ' ' VAL . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.799 HD23 HD23 ' D' ' 34' ' ' LEU . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.592 ' SD ' HD23 ' N' ' 17' ' ' LEU . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.672 HG23 HG13 ' F' ' 36' ' ' VAL . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.784 HG23 HG13 ' D' ' 39' ' ' VAL . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 40' ' ' VAL . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' D' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 1.019 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.562 ' O ' HG21 ' E' ' 12' ' ' VAL . 22.0 t 56.29 65.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -84.38 139.55 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -79.65 -74.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.677 HG12 HG22 ' G' ' 18' ' ' VAL . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.569 ' OD1' ' HB2' ' F' ' 30' ' ' ALA . 3.5 t-20 -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' OD1' ' F' ' 27' ' ' ASN . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG11 ' F' ' 39' ' ' VAL . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.47 ' HA ' HG23 ' G' ' 32' ' ' ILE . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.453 ' HE1' HD23 ' O' ' 17' ' ' LEU . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.672 HG13 HG23 ' E' ' 36' ' ' VAL . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.759 HG11 HG21 ' F' ' 31' ' ' ILE . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.846 HG12 HG22 ' G' ' 40' ' ' VAL . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.748 HD12 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.748 ' OXT' HD12 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.714 HG23 ' CE1' ' H' ' 14' ' ' HIS . 6.0 p -156.52 121.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -151.77 115.73 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.677 HG22 HG12 ' F' ' 18' ' ' VAL . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' G' ' 20' ' ' PHE . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.57 HG13 HD11 ' G' ' 41' ' ' ILE . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.639 HD12 HG21 ' H' ' 32' ' ' ILE . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.67 ' CE ' HD11 ' O' ' 34' ' ' LEU . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.626 ' H ' HG22 ' H' ' 36' ' ' VAL . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.65 HG23 HG23 ' H' ' 39' ' ' VAL . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.846 HG22 HG12 ' F' ' 40' ' ' VAL . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.74 HG23 HD11 ' F' ' 41' ' ' ILE . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.5 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.937 0.399 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -126.22 123.54 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -54.36 142.97 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' G' ' 12' ' ' VAL . 39.8 m80 -137.64 -175.66 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.688 HD12 HD11 ' H' ' 32' ' ' ILE . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.755 ' HB2' HD12 ' H' ' 32' ' ' ILE . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.514 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.687 HD11 HD12 ' G' ' 41' ' ' ILE . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' H' ' 19' ' ' PHE . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' Q' ' 34' ' ' LEU . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.498 ' SD ' HD11 ' P' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' G' ' 36' ' ' VAL . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' I' ' 39' ' ' VAL . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.695 ' CG1' HG12 ' G' ' 40' ' ' VAL . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' I' ' 41' ' ' ILE . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.474 ' OXT' HD12 ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 m -95.83 46.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -139.04 -178.31 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.27 123.38 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.817 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.9 89.78 7.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' H' ' 17' ' ' LEU . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.408 ' O ' HG13 ' I' ' 18' ' ' VAL . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.713 HG21 HG11 ' I' ' 39' ' ' VAL . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.54 ' H ' HD23 ' H' ' 34' ' ' LEU . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.434 HG23 ' O ' ' H' ' 36' ' ' VAL . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' H' ' 39' ' ' VAL . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' H' ' 40' ' ' VAL . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.664 HG22 ' CG1' ' H' ' 41' ' ' ILE . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' J' ' 12' ' ' VAL . 13.2 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' J' ' 11' ' ' GLU . 27.1 m 36.9 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -55.44 138.38 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -115.97 35.26 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.499 ' C ' HD13 ' J' ' 17' ' ' LEU . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.511 ' CG2' HG22 ' K' ' 18' ' ' VAL . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.65 ' HB ' HG23 ' K' ' 31' ' ' ILE . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.479 HD13 HD23 ' K' ' 34' ' ' LEU . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' K' ' 39' ' ' VAL . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.493 HG23 HG13 ' K' ' 40' ' ' VAL . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' J' ' 31' ' ' ILE . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.933 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.935 0.398 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -112.25 152.38 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -62.35 132.51 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -119.68 -34.78 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 16' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' K' ' 18' ' ' VAL . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.446 HD13 HD23 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.599 HG23 ' HD3' ' K' ' 16' ' ' LYS . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.634 HG13 ' CG1' ' L' ' 24' ' ' VAL . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' L' ' 30' ' ' ALA . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.65 HG23 ' HB ' ' J' ' 31' ' ' ILE . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' L' ' 32' ' ' ILE . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.686 HD12 HD22 ' L' ' 34' ' ' LEU . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.501 ' HE1' HD22 ' A' ' 17' ' ' LEU . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.69 ' CG2' HG12 ' L' ' 36' ' ' VAL . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' L' ' 39' ' ' VAL . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' L' ' 40' ' ' VAL . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.667 HG13 HD11 ' L' ' 31' ' ' ILE . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.933 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.682 HG13 ' CD2' ' L' ' 13' ' ' HIS . 9.1 p -176.31 148.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.682 ' CD2' HG13 ' L' ' 12' ' ' VAL . 24.7 p80 39.23 39.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.65 138.0 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' M' ' 17' ' ' LEU . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' M' ' 18' ' ' VAL . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' M' ' 24' ' ' VAL . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.562 ' HB1' ' OE2' ' L' ' 22' ' ' GLU . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 22' ' ' GLU . . . . . 0.562 ' OE2' ' HB1' ' L' ' 21' ' ' ALA . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.706 HG23 ' CG1' ' M' ' 24' ' ' VAL . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.667 HD11 HG13 ' K' ' 41' ' ' ILE . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' K' ' 32' ' ' ILE . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.686 HD22 HD12 ' K' ' 34' ' ' LEU . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.707 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' M' ' 36' ' ' VAL . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' M' ' 39' ' ' VAL . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' K' ' 40' ' ' VAL . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.495 HD11 HG13 ' L' ' 31' ' ' ILE . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.14 64.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -169.85 112.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -71.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.605 HD13 ' CE ' ' D' ' 35' ' ' MET . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' N' ' 18' ' ' VAL . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.4 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' N' ' 21' ' ' ALA . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.706 ' CG1' HG23 ' L' ' 24' ' ' VAL . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.421 ' HA2' HG21 ' L' ' 41' ' ' ILE . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.81 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.48 ' O ' HG13 ' M' ' 36' ' ' VAL . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.875 HD21 ' HE2' ' D' ' 35' ' ' MET . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.568 ' SD ' HD12 ' D' ' 17' ' ' LEU . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' L' ' 36' ' ' VAL . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' L' ' 39' ' ' VAL . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.788 HD12 HD11 ' N' ' 31' ' ' ILE . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.889 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -141.94 -41.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m80 54.01 64.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.54 137.01 44.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.642 HG13 HG23 ' O' ' 18' ' ' VAL . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' M' ' 21' ' ' ALA . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.64 ' CG1' HG23 ' M' ' 24' ' ' VAL . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.473 HD21 ' HB2' ' N' ' 30' ' ' ALA . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.473 ' HB2' HD21 ' N' ' 27' ' ' ASN . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.788 HD11 HD12 ' M' ' 41' ' ' ILE . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.81 HG21 HD12 ' M' ' 32' ' ' ILE . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.513 HD23 HD23 ' M' ' 34' ' ' LEU . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' O' ' 36' ' ' VAL . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.863 HG23 HG23 ' M' ' 39' ' ' VAL . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.543 HD13 ' HA2' ' O' ' 29' ' ' GLY . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.916 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 t 52.5 74.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -104.46 127.57 52.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -163.32 -176.13 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.793 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' P' ' 18' ' ' VAL . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.647 ' HE2' HG21 ' P' ' 24' ' ' VAL . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' N' ' 21' ' ' ALA . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' O' ' 30' ' ' ALA . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' N' ' 41' ' ' ILE . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' OD1' ' O' ' 27' ' ' ASN . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.784 HG21 HD12 ' N' ' 32' ' ' ILE . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 35' ' ' MET . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' F' ' 17' ' ' LEU . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.748 HG22 HG12 ' P' ' 36' ' ' VAL . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.811 HG22 HG12 ' P' ' 39' ' ' VAL . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.714 HG23 HG13 ' P' ' 40' ' ' VAL . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.524 HG12 HD12 ' N' ' 41' ' ' ILE . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 1.298 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.55 124.41 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -56.85 132.07 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -65.89 -71.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' O' ' 18' ' ' VAL . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' O' ' 21' ' ' ALA . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.472 ' OE1' ' HB1' ' P' ' 21' ' ' ALA . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.647 HG21 ' HE2' ' O' ' 20' ' ' PHE . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.773 HG21 HD12 ' O' ' 32' ' ' ILE . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.651 ' O ' HG13 ' P' ' 36' ' ' VAL . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.498 HD11 ' SD ' ' H' ' 35' ' ' MET . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.48 ' SD ' HD23 ' F' ' 17' ' ' LEU . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.748 HG12 HG22 ' O' ' 36' ' ' VAL . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.817 HG22 HG12 ' Q' ' 39' ' ' VAL . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.714 HG13 HG23 ' O' ' 40' ' ' VAL . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 1.298 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.944 0.402 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 14.7 p -164.47 133.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -54.34 169.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -174.09 111.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.43 ' HG ' ' HE1' ' H' ' 35' ' ' MET . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.555 ' HB ' HG12 ' R' ' 18' ' ' VAL . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' R' ' 24' ' ' VAL . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' P' ' 21' ' ' ALA . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' R' ' 24' ' ' VAL . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.639 HG21 HD12 ' P' ' 32' ' ' ILE . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . 0.605 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.741 ' HB3' HD13 ' H' ' 34' ' ' LEU . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.464 ' HG3' HD11 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' P' ' 36' ' ' VAL . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.878 HG22 HG12 ' R' ' 39' ' ' VAL . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.701 HG23 HG13 ' R' ' 40' ' ' VAL . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.626 HG22 HG22 ' R' ' 41' ' ' ILE . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.824 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.2 103.74 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -93.19 53.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -139.67 109.38 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.555 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' R' ' 32' ' ' ILE . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.646 HG21 ' HE1' ' Q' ' 20' ' ' PHE . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' R' ' 19' ' ' PHE . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.402 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.541 ' SD ' HD23 ' H' ' 17' ' ' LEU . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.878 HG12 HG22 ' Q' ' 39' ' ' VAL . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.701 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.686 HD12 ' OXT' ' R' ' 42' ' ' ALA . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.824 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.88 149.76 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -115.35 108.65 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -100.03 47.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 19' ' ' PHE . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.74 HD23 HD13 ' B' ' 34' ' ' LEU . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' HG13 ' B' ' 36' ' ' VAL . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.611 HG23 ' CG2' ' B' ' 40' ' ' VAL . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.51 HG13 HG22 ' B' ' 41' ' ' ILE . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.595 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' C' ' 18' ' ' VAL . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.714 ' HA3' HD13 ' B' ' 41' ' ' ILE . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.895 HG21 HG11 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 34' ' ' LEU . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.522 ' HE1' HD11 ' K' ' 34' ' ' LEU . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.732 HG21 HD11 ' B' ' 31' ' ' ILE . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.895 HG11 HG21 ' B' ' 31' ' ' ILE . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.928 HG12 HG22 ' C' ' 40' ' ' VAL . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.714 HD13 ' HA3' ' B' ' 29' ' ' GLY . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.741 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t 52.66 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.197 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -83.4 133.89 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -99.37 -74.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' B' ' 18' ' ' VAL . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.832 HG21 HG21 ' C' ' 39' ' ' VAL . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.572 HG23 HG23 ' D' ' 32' ' ' ILE . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 1.035 HD23 HD12 ' D' ' 34' ' ' LEU . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' D' ' 36' ' ' VAL . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.832 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.928 HG22 HG12 ' B' ' 40' ' ' VAL . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.528 HD12 ' OXT' ' C' ' 42' ' ' ALA . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.01 128.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.04 148.14 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.72 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.629 ' CG2' HG22 ' E' ' 18' ' ' VAL . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.553 HG13 ' HB ' ' E' ' 24' ' ' VAL . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.697 HG21 HD12 ' E' ' 31' ' ' ILE . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.643 HD12 HG21 ' E' ' 32' ' ' ILE . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 1.035 HD12 HD23 ' C' ' 34' ' ' LEU . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' C' ' 36' ' ' VAL . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' E' ' 31' ' ' ILE . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG12 ' C' ' 40' ' ' VAL . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' D' ' 31' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.537 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.876 HG23 HG13 ' F' ' 12' ' ' VAL . 9.3 p -167.59 136.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -73.01 168.18 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -113.42 -73.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.629 HG22 ' CG2' ' D' ' 18' ' ' VAL . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.496 ' HD2' HD12 ' E' ' 32' ' ' ILE . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.478 ' HE2' HG23 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.553 ' HB ' HG13 ' D' ' 24' ' ' VAL . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.808 HG21 HD12 ' F' ' 31' ' ' ILE . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.643 HG21 HD12 ' D' ' 32' ' ' ILE . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.836 HD22 HD12 ' F' ' 34' ' ' LEU . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.627 HG12 HG12 ' D' ' 36' ' ' VAL . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.724 HG11 HG21 ' E' ' 31' ' ' ILE . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.707 HG21 ' HA2' ' F' ' 29' ' ' GLY . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 12' ' ' VAL . 9.5 p -140.88 146.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.83 161.39 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -89.78 -70.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' G' ' 18' ' ' VAL . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' G' ' 24' ' ' VAL . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.707 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.808 HD12 HG21 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.846 HD22 HD12 ' G' ' 34' ' ' LEU . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 36' ' ' VAL . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.805 HG21 HG21 ' F' ' 31' ' ' ILE . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.663 ' C ' HD13 ' F' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.939 0.4 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.595 HG21 ' HB ' ' H' ' 12' ' ' VAL . 37.6 t -67.52 114.54 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -133.75 96.31 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -147.23 160.8 42.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' F' ' 18' ' ' VAL . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.676 ' HB ' HG13 ' F' ' 24' ' ' VAL . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.793 HG21 HG11 ' G' ' 39' ' ' VAL . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.631 HG21 HD12 ' F' ' 32' ' ' ILE . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.846 HD12 HD22 ' F' ' 34' ' ' LEU . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.512 ' SD ' HD11 ' O' ' 34' ' ' LEU . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.523 HG22 ' HB ' ' F' ' 36' ' ' VAL . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.793 HG11 HG21 ' G' ' 31' ' ' ILE . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' H' ' 40' ' ' VAL . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.629 ' HA ' HG23 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.667 ' OXT' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.595 ' HB ' HG21 ' G' ' 12' ' ' VAL . 21.7 t -112.82 150.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -161.24 159.24 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -97.87 -64.33 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' I' ' 17' ' ' LEU . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.672 HG22 HG22 ' G' ' 18' ' ' VAL . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.49 ' HZ ' ' HB1' ' H' ' 30' ' ' ALA . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' I' ' 21' ' ' ALA . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.829 HG13 HG23 ' I' ' 24' ' ' VAL . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.536 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' HZ ' ' H' ' 19' ' ' PHE . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CG2' ' G' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.741 HD13 HG23 ' I' ' 32' ' ' ILE . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.621 ' N ' HD12 ' H' ' 32' ' ' ILE . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.931 HD22 HD12 ' I' ' 34' ' ' LEU . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.49 ' HB2' HD11 ' Q' ' 34' ' ' LEU . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.68 ' CG1' HG12 ' I' ' 36' ' ' VAL . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.698 HG12 ' HB ' ' G' ' 39' ' ' VAL . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.684 HG12 ' HB ' ' I' ' 40' ' ' VAL . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.521 HD13 ' N ' ' H' ' 42' ' ' ALA . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.667 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t 53.83 74.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.63 -36.79 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -88.45 147.88 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -116.21 95.89 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.441 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.427 ' H ' HD23 ' I' ' 17' ' ' LEU . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' I' ' 24' ' ' VAL . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' H' ' 21' ' ' ALA . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.829 HG23 HG13 ' H' ' 24' ' ' VAL . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.663 HD13 ' H ' ' I' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.741 HG23 HD13 ' H' ' 32' ' ' ILE . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.585 ' H ' HD12 ' I' ' 32' ' ' ILE . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.931 HD12 HD22 ' H' ' 34' ' ' LEU . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.615 ' SD ' HD11 ' R' ' 34' ' ' LEU . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.68 HG12 ' CG1' ' H' ' 36' ' ' VAL . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.665 HG23 HG23 ' H' ' 39' ' ' VAL . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.684 ' HB ' HG12 ' H' ' 40' ' ' VAL . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 41' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' H' ' 41' ' ' ILE . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.5 45.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m80 52.04 35.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -59.16 -38.17 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' J' ' 32' ' ' ILE . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' J' ' 24' ' ' VAL . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.764 HG12 HG22 ' K' ' 24' ' ' VAL . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.455 HG21 HG13 ' J' ' 39' ' ' VAL . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' K' ' 32' ' ' ILE . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.455 HG13 HG21 ' J' ' 31' ' ' ILE . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.588 HG23 HG13 ' K' ' 40' ' ' VAL . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.69 -36.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -169.63 121.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -56.39 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.764 HG22 HG12 ' J' ' 24' ' ' VAL . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.517 HD13 HG13 ' K' ' 39' ' ' VAL . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' J' ' 32' ' ' ILE . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' L' ' 34' ' ' LEU . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.684 HG22 HG12 ' L' ' 36' ' ' VAL . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.517 HG13 HD13 ' K' ' 31' ' ' ILE . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.588 HG13 HG23 ' J' ' 40' ' ' VAL . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 1.133 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.39 -52.3 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -164.1 115.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -112.74 -74.58 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.722 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' L' ' 21' ' ' ALA . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.649 ' HB2' HD12 ' L' ' 32' ' ' ILE . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG13 ' L' ' 18' ' ' VAL . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' K' ' 24' ' ' VAL . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HZ ' ' L' ' 19' ' ' PHE . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' L' ' 19' ' ' PHE . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' K' ' 34' ' ' LEU . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.618 ' HG3' HD21 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' M' ' 36' ' ' VAL . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.668 ' CG2' HG22 ' M' ' 39' ' ' VAL . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 ' CG1' ' M' ' 40' ' ' VAL . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 1.133 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -87.5 140.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -55.37 172.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -118.9 -74.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' M' ' 21' ' ' ALA . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' M' ' 32' ' ' ILE . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.601 ' HB2' HG13 ' M' ' 18' ' ' VAL . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.476 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' M' ' 19' ' ' PHE . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.656 HD12 HD22 ' L' ' 34' ' ' LEU . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.601 ' HG3' HD11 ' D' ' 34' ' ' LEU . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.937 HG22 HG12 ' N' ' 36' ' ' VAL . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.668 HG22 ' CG2' ' L' ' 39' ' ' VAL . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.647 ' CG1' HG12 ' L' ' 40' ' ' VAL . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA2' ' N' ' 29' ' ' GLY . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.575 ' HB3' ' C ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.942 0.401 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.454 HG11 ' O ' ' O' ' 11' ' ' GLU . 6.6 m -109.27 120.47 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -174.3 141.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -177.97 112.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.73 HG13 ' HB2' ' N' ' 21' ' ' ALA . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 21' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' N' ' 18' ' ' VAL . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.75 HG23 ' HB ' ' O' ' 24' ' ' VAL . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.488 ' OD1' HG21 ' N' ' 24' ' ' VAL . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.47 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' N' ' 39' ' ' VAL . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.62 HG13 HG23 ' O' ' 32' ' ' ILE . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.75 ' HB3' HD13 ' E' ' 34' ' ' LEU . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.519 ' SD ' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.937 HG12 HG22 ' M' ' 36' ' ' VAL . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.565 ' HB ' HG12 ' O' ' 39' ' ' VAL . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.629 HG23 HG13 ' O' ' 40' ' ' VAL . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.622 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.454 ' O ' HG11 ' N' ' 12' ' ' VAL . 29.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -142.75 113.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -139.14 115.3 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -150.12 158.61 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' O' ' 21' ' ' ALA . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.752 ' HB2' HG13 ' O' ' 18' ' ' VAL . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.75 ' HB ' HG23 ' N' ' 24' ' ' VAL . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 34' ' ' LEU . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.432 ' HG3' HD11 ' F' ' 34' ' ' LEU . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.915 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.818 HG22 HG12 ' P' ' 39' ' ' VAL . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.629 HG13 HG23 ' N' ' 40' ' ' VAL . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.623 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.52 -43.73 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -119.08 108.6 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -58.21 -51.49 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' P' ' 21' ' ' ALA . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' P' ' 18' ' ' VAL . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.692 HG13 ' CG2' ' Q' ' 24' ' ' VAL . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.563 ' HB2' HG11 ' P' ' 24' ' ' VAL . 2.6 t30 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.633 ' CD1' HG21 ' O' ' 39' ' ' VAL . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.862 HD22 HD12 ' Q' ' 34' ' ' LEU . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.611 ' HG3' HD11 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.915 HG12 HG22 ' O' ' 36' ' ' VAL . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.818 HG12 HG22 ' O' ' 39' ' ' VAL . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.603 HG13 HG23 ' O' ' 40' ' ' VAL . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.623 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.969 0.414 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -170.25 139.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -131.54 -176.22 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.03 167.03 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' Q' ' 21' ' ' ALA . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' R' ' 24' ' ' VAL . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.726 ' HB2' ' CG1' ' Q' ' 18' ' ' VAL . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . 0.692 ' CG2' HG13 ' P' ' 24' ' ' VAL . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.43 HG13 HD11 ' Q' ' 41' ' ' ILE . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.522 HG21 HD12 ' P' ' 32' ' ' ILE . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.862 HD12 HD22 ' P' ' 34' ' ' LEU . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.57 ' HG3' HD11 ' H' ' 34' ' ' LEU . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.91 HG12 HG22 ' P' ' 36' ' ' VAL . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' R' ' 39' ' ' VAL . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.532 HG13 HG23 ' P' ' 40' ' ' VAL . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' R' ' 42' ' ' ALA . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.63 -179.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -89.05 -74.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -52.54 155.5 2.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.584 HD11 HD11 ' R' ' 32' ' ' ILE . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.58 ' CG1' ' HB2' ' R' ' 21' ' ' ALA . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 20' ' ' PHE . . . . . 0.477 ' HB3' HG11 ' R' ' 24' ' ' VAL . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 21' ' ' ALA . . . . . 0.58 ' HB2' ' CG1' ' R' ' 18' ' ' VAL . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' Q' ' 20' ' ' PHE . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 29' ' ' GLY . . . . . 0.73 ' HA3' HG23 ' R' ' 41' ' ' ILE . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.567 ' CD1' HG21 ' Q' ' 39' ' ' VAL . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.584 HD11 HD11 ' R' ' 17' ' ' LEU . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.777 ' HB3' HD13 ' I' ' 34' ' ' LEU . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.674 ' HB2' HD11 ' I' ' 34' ' ' LEU . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.821 HG22 HG22 ' Q' ' 36' ' ' VAL . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.462 ' HB ' HG23 ' Q' ' 40' ' ' VAL . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.73 HG23 ' HA3' ' R' ' 29' ' ' GLY . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 140.36 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -60.47 130.28 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -106.34 -38.24 6.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 24' ' ' VAL . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 HG22 ' B' ' 24' ' ' VAL . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 HG13 ' B' ' 31' ' ' ILE . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' HG23 ' B' ' 32' ' ' ILE . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.655 ' O ' HD22 ' A' ' 34' ' ' LEU . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 33' ' ' GLY . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 36' ' ' VAL . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG22 HG12 ' B' ' 39' ' ' VAL . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 HG13 ' B' ' 40' ' ' VAL . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.627 HD13 ' HA3' ' A' ' 29' ' ' GLY . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.798 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.648 HD23 ' SD ' ' L' ' 35' ' ' MET . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.522 ' HZ ' ' HB1' ' B' ' 30' ' ' ALA . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 24' ' ' VAL . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.522 ' HB1' ' HZ ' ' B' ' 19' ' ' PHE . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.572 HD13 HG12 ' C' ' 31' ' ' ILE . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' C' ' 32' ' ' ILE . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.646 HD22 HD12 ' C' ' 34' ' ' LEU . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.609 ' CE ' HD23 ' K' ' 17' ' ' LEU . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.731 ' O ' HG23 ' C' ' 36' ' ' VAL . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.917 HG12 HG22 ' A' ' 39' ' ' VAL . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 40' ' ' VAL . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.631 HG22 HG22 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.924 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -82.6 90.05 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -141.12 174.25 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -117.99 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.672 ' HZ ' ' HB1' ' C' ' 30' ' ' ALA . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.482 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' B' ' 41' ' ' ILE . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' C' ' 19' ' ' PHE . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 39' ' ' VAL . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.626 HD12 ' N ' ' C' ' 33' ' ' GLY . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.692 ' O ' HG12 ' C' ' 36' ' ' VAL . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 HD22 ' B' ' 34' ' ' LEU . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.466 ' SD ' HD12 ' L' ' 17' ' ' LEU . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 36' ' ' VAL . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' D' ' 39' ' ' VAL . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 40' ' ' VAL . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.77 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.924 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -118.64 62.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.91 163.46 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.47 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.731 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.61 ' HZ ' ' HB1' ' D' ' 30' ' ' ALA . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.84 HG21 HG21 ' C' ' 39' ' ' VAL . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.731 HD11 HD11 ' D' ' 17' ' ' LEU . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.726 HD22 HD12 ' E' ' 34' ' ' LEU . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.493 ' CE ' HD23 ' M' ' 17' ' ' LEU . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 36' ' ' VAL . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' C' ' 39' ' ' VAL . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 40' ' ' VAL . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.611 HG23 HD11 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.936 0.398 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.06 139.33 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -125.64 -51.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -71.15 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.77 ' HB2' HD13 ' E' ' 32' ' ' ILE . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.436 HG21 ' CZ ' ' E' ' 20' ' ' PHE . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' E' ' 19' ' ' PHE . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.778 HD12 HG21 ' D' ' 39' ' ' VAL . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' E' ' 19' ' ' PHE . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.726 HD12 HD22 ' D' ' 34' ' ' LEU . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.876 HG23 HG13 ' D' ' 36' ' ' VAL . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.461 ' HA ' HG13 ' D' ' 39' ' ' VAL . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 0.628 HG21 ' HA2' ' F' ' 29' ' ' GLY . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.449 HG11 ' CD2' ' G' ' 14' ' ' HIS . 47.5 t -64.86 -70.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.8 m80 55.35 56.26 6.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -105.65 150.79 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.81 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' F' ' 24' ' ' VAL . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.628 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' F' ' 19' ' ' PHE . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.765 HG21 HG11 ' F' ' 39' ' ' VAL . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' F' ' 19' ' ' PHE . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.453 ' HA3' HG22 ' F' ' 36' ' ' VAL . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.75 HD13 HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' G' ' 36' ' ' VAL . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.765 HG11 HG21 ' F' ' 31' ' ' ILE . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.418 ' O ' HG13 ' F' ' 40' ' ' VAL . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.963 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.24 165.58 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -117.27 160.0 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.449 ' CD2' HG11 ' F' ' 12' ' ' VAL . 15.7 t-80 -159.09 139.49 12.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' H' ' 18' ' ' VAL . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.63 ' CE1' ' HB1' ' G' ' 30' ' ' ALA . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' G' ' 24' ' ' VAL . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' G' ' 20' ' ' PHE . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' G' ' 19' ' ' PHE . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' F' ' 31' ' ' ILE . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' F' ' 32' ' ' ILE . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.75 HD23 HD13 ' F' ' 34' ' ' LEU . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.491 ' HG3' HD22 ' P' ' 34' ' ' LEU . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.732 HG23 HG23 ' H' ' 36' ' ' VAL . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' G' ' 31' ' ' ILE . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' H' ' 42' ' ' ALA . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 0.963 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' I' ' 16' ' ' LYS . 7.6 p -139.23 132.17 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -135.72 42.02 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -169.31 -176.15 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.829 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' I' ' 18' ' ' VAL . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' H' ' 32' ' ' ILE . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' H' ' 24' ' ' VAL . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.704 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.843 HD13 HG13 ' H' ' 39' ' ' VAL . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' H' ' 19' ' ' PHE . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.635 HD12 HD12 ' G' ' 34' ' ' LEU . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.747 ' CG1' HG12 ' I' ' 36' ' ' VAL . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.843 HG13 HD13 ' H' ' 31' ' ' ILE . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.571 HG21 ' HA2' ' I' ' 29' ' ' GLY . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.928 0.394 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.17 158.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -165.92 161.1 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.54 ' HB3' HG13 ' H' ' 12' ' ' VAL . 5.4 m-70 -89.59 144.02 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.813 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -125.37 71.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.643 ' HB2' HG11 ' H' ' 12' ' ' VAL . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.717 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' H' ' 18' ' ' VAL . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.515 ' HE2' ' HB1' ' I' ' 30' ' ' ALA . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.457 HG11 ' OD1' ' I' ' 27' ' ' ASN . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.457 ' OD1' HG11 ' I' ' 24' ' ' VAL . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.571 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' I' ' 19' ' ' PHE . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.726 HG21 HD12 ' H' ' 32' ' ' ILE . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.471 ' N ' HD13 ' I' ' 32' ' ' ILE . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' H' ' 34' ' ' LEU . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.747 HG12 ' CG1' ' H' ' 36' ' ' VAL . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.956 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.91 -56.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -75.73 126.33 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -104.42 42.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.599 ' CG1' HD11 ' J' ' 41' ' ' ILE . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' J' ' 19' ' ' PHE . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.7 HG22 HG12 ' K' ' 36' ' ' VAL . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' K' ' 40' ' ' VAL . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.787 HG21 ' HA2' ' K' ' 29' ' ' GLY . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 1.042 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.932 0.396 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.436 HG13 HG23 ' M' ' 12' ' ' VAL . 35.5 t -112.35 -50.45 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.97 114.94 7.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -166.89 172.36 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' B' ' 35' ' ' MET . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.711 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.423 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.521 HG13 ' CG2' ' L' ' 24' ' ' VAL . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' K' ' 39' ' ' VAL . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.409 ' HA ' HG23 ' L' ' 32' ' ' ILE . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' ' 34' ' ' LEU . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.7 HG12 HG22 ' J' ' 36' ' ' VAL . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' K' ' 31' ' ' ILE . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' J' ' 40' ' ' VAL . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.57 HD12 HD11 ' L' ' 31' ' ' ILE . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.16 125.42 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -176.43 147.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -174.77 123.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 21' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.658 HG12 ' CG1' ' M' ' 24' ' ' VAL . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.58 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.57 HD11 HD12 ' K' ' 41' ' ' ILE . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.653 HD12 HG21 ' M' ' 32' ' ' ILE . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.454 HD22 HD12 ' M' ' 34' ' ' LEU . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.648 ' SD ' HD23 ' B' ' 17' ' ' LEU . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.844 HG22 HG12 ' M' ' 36' ' ' VAL . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.503 HG23 HG13 ' M' ' 40' ' ' VAL . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.862 HD13 ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.436 HG23 HG13 ' K' ' 12' ' ' VAL . 7.5 p -119.4 -36.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -103.27 126.4 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.61 -66.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.602 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HG2' ' N' ' 22' ' ' GLU . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' L' ' 24' ' ' VAL . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.826 HD13 HG13 ' M' ' 39' ' ' VAL . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.653 HG21 HD12 ' L' ' 32' ' ' ILE . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.454 HD12 HD22 ' L' ' 34' ' ' LEU . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.497 ' HE1' ' HB2' ' D' ' 17' ' ' LEU . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' N' ' 36' ' ' VAL . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.826 HG13 HD13 ' M' ' 31' ' ' ILE . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.627 HG23 HG13 ' N' ' 40' ' ' VAL . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.521 HD11 HD12 ' M' ' 31' ' ' ILE . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 0.988 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -125.7 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -139.97 133.8 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.13 103.52 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' M' ' 17' ' ' LEU . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 22' ' ' GLU . . . . . 0.528 ' HG2' ' HB1' ' M' ' 21' ' ' ALA . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.648 ' HA ' HG13 ' O' ' 24' ' ' VAL . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.738 HD12 HG11 ' M' ' 39' ' ' VAL . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.507 HG23 HG13 ' M' ' 32' ' ' ILE . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' M' ' 34' ' ' LEU . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.655 ' CE ' HD23 ' D' ' 17' ' ' LEU . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.924 HG12 HG22 ' M' ' 36' ' ' VAL . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.635 HG12 HG12 ' O' ' 39' ' ' VAL . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.627 HG13 HG23 ' M' ' 40' ' ' VAL . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.527 HG21 ' HA2' ' O' ' 29' ' ' GLY . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.808 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.31 45.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.83 130.4 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -115.57 -59.06 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.568 HG13 HG23 ' P' ' 18' ' ' VAL . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' O' ' 32' ' ' ILE . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 20' ' ' PHE . . . . . 0.41 ' HE2' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.505 ' HB3' ' N ' ' P' ' 22' ' ' GLU . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.648 HG13 ' HA ' ' N' ' 24' ' ' VAL . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.695 HD12 HG21 ' P' ' 32' ' ' ILE . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' N' ' 34' ' ' LEU . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' P' ' 36' ' ' VAL . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.729 HG22 HG12 ' P' ' 39' ' ' VAL . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.55 HG23 HG13 ' P' ' 40' ' ' VAL . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 0.737 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -102.14 135.69 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.67 157.12 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -170.45 112.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.698 ' CG1' HG12 ' Q' ' 18' ' ' VAL . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HB1' ' P' ' 30' ' ' ALA . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' O' ' 21' ' ' ALA . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.559 ' HB1' ' CZ ' ' P' ' 19' ' ' PHE . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.656 HD13 HG21 ' O' ' 39' ' ' VAL . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' Q' ' 32' ' ' ILE . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' G' ' 35' ' ' MET . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' O' ' 36' ' ' VAL . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.729 HG12 HG22 ' O' ' 39' ' ' VAL . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.555 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.737 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.08 156.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -152.32 -178.17 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -111.87 168.7 9.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.698 HG12 ' CG1' ' P' ' 18' ' ' VAL . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . 0.568 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.667 HD13 ' CG2' ' P' ' 39' ' ' VAL . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' P' ' 32' ' ' ILE . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.773 ' HE1' HD23 ' G' ' 17' ' ' LEU . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.784 HG22 HG12 ' R' ' 36' ' ' VAL . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.859 HG21 HG21 ' R' ' 31' ' ' ILE . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.583 HG23 HG13 ' R' ' 40' ' ' VAL . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.78 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.71 70.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -173.01 147.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -60.22 149.01 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.506 HG23 HG23 ' Q' ' 18' ' ' VAL . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.859 HG21 HG21 ' Q' ' 39' ' ' VAL . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' I' ' 34' ' ' LEU . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 35' ' ' MET . . . . . 0.525 ' CE ' HD23 ' H' ' 17' ' ' LEU . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.784 HG12 HG22 ' Q' ' 36' ' ' VAL . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.642 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.583 HG13 HG23 ' Q' ' 40' ' ' VAL . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.78 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.8 96.63 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -108.96 115.08 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -123.56 40.13 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 ' CG2' HG12 ' B' ' 18' ' ' VAL . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' HB3' HD13 ' A' ' 32' ' ' ILE . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.575 HD12 HG21 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.486 ' HB ' HG12 ' B' ' 39' ' ' VAL . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 HG23 ' B' ' 40' ' ' VAL . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG21 ' HA3' ' A' ' 29' ' ' GLY . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.108 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 1.046 HD11 HD11 ' B' ' 32' ' ' ILE . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.519 HG12 ' CG2' ' A' ' 18' ' ' VAL . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' B' ' 30' ' ' ALA . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.656 ' CE1' HG21 ' B' ' 24' ' ' VAL . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.656 HG21 ' CE1' ' B' ' 20' ' ' PHE . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.655 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' HE2' ' B' ' 19' ' ' PHE . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 31' ' ' ILE . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 1.046 HD11 HD11 ' B' ' 17' ' ' LEU . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.622 HD13 HD23 ' C' ' 34' ' ' LEU . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.439 ' HE3' HD23 ' K' ' 17' ' ' LEU . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 36' ' ' VAL . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' C' ' 39' ' ' VAL . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.679 ' O ' HD13 ' B' ' 41' ' ' ILE . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.679 HD13 ' O ' ' B' ' 40' ' ' VAL . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 1.108 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' D' ' 11' ' ' GLU . 26.5 m -151.1 124.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -179.4 -176.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -52.08 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.669 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 32' ' ' ILE . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.661 ' CZ ' HG21 ' C' ' 24' ' ' VAL . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.888 HG22 HG12 ' D' ' 24' ' ' VAL . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.435 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.556 HD12 ' N ' ' C' ' 32' ' ' ILE . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.669 HD11 HD11 ' C' ' 17' ' ' LEU . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' D' ' 34' ' ' LEU . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.512 ' SD ' HD12 ' L' ' 17' ' ' LEU . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 36' ' ' VAL . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' B' ' 39' ' ' VAL . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.665 ' CG1' HG12 ' B' ' 40' ' ' VAL . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.438 HD13 ' HB ' ' B' ' 41' ' ' ILE . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.708 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' C' ' 12' ' ' VAL . 41.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.44 144.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -110.07 -35.96 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.401 ' HB3' ' NE2' ' D' ' 15' ' ' GLN . 23.7 m80 -139.05 -76.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' D' ' 14' ' ' HIS . 0.1 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' D' ' 18' ' ' VAL . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' D' ' 16' ' ' LYS . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.79 ' CE2' HD11 ' D' ' 32' ' ' ILE . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG11 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.607 ' OE1' ' HB1' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' E' ' 24' ' ' VAL . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.548 ' HB1' ' HE2' ' D' ' 19' ' ' PHE . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.675 HG23 HG23 ' E' ' 31' ' ' ILE . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.79 HD11 ' CE2' ' D' ' 19' ' ' PHE . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' C' ' 34' ' ' LEU . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.448 ' HE2' HD12 ' M' ' 17' ' ' LEU . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.709 HG13 HG23 ' C' ' 36' ' ' VAL . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.668 HG11 HG21 ' D' ' 31' ' ' ILE . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' E' ' 40' ' ' VAL . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.44 HD12 HD11 ' E' ' 31' ' ' ILE . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.668 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.607 HG23 ' HB2' ' E' ' 16' ' ' LYS . 7.5 p -69.56 126.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.74 -68.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -117.17 -76.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.607 ' HB2' HG23 ' E' ' 12' ' ' VAL . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' OE1' ' D' ' 22' ' ' GLU . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' D' ' 24' ' ' VAL . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' F' ' 27' ' ' ASN . 10.8 m120 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.681 HD11 HG21 ' E' ' 41' ' ' ILE . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' E' ' 17' ' ' LEU . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.418 ' CB ' HD11 ' N' ' 34' ' ' LEU . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.661 HG13 HG23 ' F' ' 36' ' ' VAL . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' F' ' 39' ' ' VAL . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.796 HG23 HG13 ' F' ' 40' ' ' VAL . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ILE . . . . . 1.058 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 42' ' ' ALA . . . . . 1.058 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.21 148.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.43 ' ND1' HG13 ' E' ' 12' ' ' VAL . 4.9 m-70 -114.32 156.96 23.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.26 -75.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' E' ' 12' ' ' VAL . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.657 ' HB3' HD22 ' E' ' 17' ' ' LEU . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.758 HG13 HG23 ' G' ' 18' ' ' VAL . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.492 ' OE1' ' HB1' ' G' ' 21' ' ' ALA . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.753 ' HB ' HG12 ' E' ' 24' ' ' VAL . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.418 ' HB3' ' ND2' ' E' ' 27' ' ' ASN . 7.0 t-20 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.52 ' CG1' HD13 ' E' ' 31' ' ' ILE . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.838 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' P' ' 35' ' ' MET . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.714 ' CE ' HD23 ' O' ' 17' ' ' LEU . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.912 HG13 HG23 ' G' ' 36' ' ' VAL . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' E' ' 39' ' ' VAL . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.796 HG13 HG23 ' E' ' 40' ' ' VAL . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.892 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.73 117.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -143.45 159.48 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -119.06 -74.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.683 HD12 HD11 ' G' ' 32' ' ' ILE . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.758 HG23 HG13 ' F' ' 18' ' ' VAL . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' G' ' 24' ' ' VAL . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' OE1' ' F' ' 22' ' ' GLU . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.618 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' H' ' 24' ' ' VAL . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.472 ' HB2' HG11 ' G' ' 24' ' ' VAL . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.644 HG21 HD12 ' H' ' 31' ' ' ILE . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.838 HG21 HD12 ' F' ' 32' ' ' ILE . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' H' ' 34' ' ' LEU . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.912 HG23 HG13 ' F' ' 36' ' ' VAL . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.688 HG23 HG13 ' F' ' 39' ' ' VAL . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' H' ' 40' ' ' VAL . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 41' ' ' ILE . . . . . 1.018 HD13 ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 42' ' ' ALA . . . . . 1.018 ' O ' HD13 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' H' ' 13' ' ' HIS . 3.9 m -114.72 -35.34 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.415 ' CD2' HG23 ' H' ' 12' ' ' VAL . 1.9 p80 -146.07 138.05 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 179.85 -179.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HE1' ' Q' ' 35' ' ' MET . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.815 HD12 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.75 HG23 HG13 ' G' ' 18' ' ' VAL . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' G' ' 24' ' ' VAL . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.766 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.644 HD12 HG21 ' G' ' 31' ' ' ILE . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.815 HD11 HD12 ' H' ' 17' ' ' LEU . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' Q' ' 34' ' ' LEU . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.835 HG23 HG13 ' I' ' 36' ' ' VAL . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.622 HG22 ' CG1' ' G' ' 39' ' ' VAL . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 40' ' ' VAL . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 41' ' ' ILE . . . . . 0.519 HD11 HG22 ' H' ' 31' ' ' ILE . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.914 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -100.4 127.94 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.99 146.32 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -116.91 162.31 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -82.68 112.17 19.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.588 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.622 HG23 HG13 ' H' ' 18' ' ' VAL . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' I' ' 24' ' ' VAL . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' H' ' 24' ' ' VAL . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.452 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.601 HD12 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.835 HG13 HG23 ' H' ' 36' ' ' VAL . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.601 HG21 HD12 ' I' ' 31' ' ' ILE . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.484 ' HB ' HG12 ' H' ' 40' ' ' VAL . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 42' ' ' ALA . . . . . 0.452 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.74 145.6 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -99.58 62.99 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -109.28 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' J' ' 30' ' ' ALA . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.474 ' HB2' HG11 ' J' ' 24' ' ' VAL . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' J' ' 20' ' ' PHE . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' J' ' 41' ' ' ILE . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' J' ' 19' ' ' PHE . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.585 HG13 HG23 ' K' ' 32' ' ' ILE . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.476 ' H ' HG12 ' K' ' 36' ' ' VAL . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.634 ' CG2' HG22 ' K' ' 39' ' ' VAL . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.516 HG23 HG23 ' K' ' 40' ' ' VAL . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.819 HG21 ' HA2' ' K' ' 29' ' ' GLY . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.806 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' L' ' 12' ' ' VAL . 18.0 m -107.42 36.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -95.84 125.61 40.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -175.04 139.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.829 HD11 HD11 ' K' ' 32' ' ' ILE . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.819 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' K' ' 39' ' ' VAL . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.829 HD11 HD11 ' K' ' 17' ' ' LEU . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.476 HG12 ' H ' ' J' ' 36' ' ' VAL . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.686 ' CG1' HD13 ' K' ' 31' ' ' ILE . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.695 HG12 HG22 ' L' ' 40' ' ' VAL . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 41' ' ' ILE . . . . . 0.478 HD11 HD12 ' K' ' 31' ' ' ILE . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 42' ' ' ALA . . . . . 0.806 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.716 ' HB ' HG12 ' K' ' 12' ' ' VAL . 15.7 m -144.27 124.59 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -138.79 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.93 -66.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' HB1' ' L' ' 30' ' ' ALA . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' K' ' 41' ' ' ILE . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.69 ' HB1' ' CZ ' ' L' ' 19' ' ' PHE . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.527 HD13 ' HB ' ' L' ' 39' ' ' VAL . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.571 HG21 HD12 ' K' ' 32' ' ' ILE . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.719 HG22 HG12 ' M' ' 36' ' ' VAL . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.757 HG22 HG12 ' M' ' 39' ' ' VAL . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.695 HG22 HG12 ' K' ' 40' ' ' VAL . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.725 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.23 131.02 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -172.65 116.8 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -74.02 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.544 ' CG1' HG13 ' N' ' 18' ' ' VAL . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.597 ' CE2' ' HB1' ' M' ' 30' ' ' ALA . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.572 HD13 ' HB ' ' M' ' 39' ' ' VAL . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.456 HD12 HG21 ' N' ' 32' ' ' ILE . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' N' ' 34' ' ' LEU . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.719 HG12 HG22 ' L' ' 36' ' ' VAL . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.853 HG22 HG12 ' N' ' 39' ' ' VAL . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.666 ' CG1' HG12 ' L' ' 40' ' ' VAL . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 41' ' ' ILE . . . . . 0.469 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 42' ' ' ALA . . . . . 1.163 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.72 145.03 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -90.22 117.39 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 -70.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.544 HG13 ' CG1' ' M' ' 18' ' ' VAL . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.713 ' CZ ' ' HB1' ' N' ' 30' ' ' ALA . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 20' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' N' ' 24' ' ' VAL . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' N' ' 20' ' ' PHE . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.713 ' HB1' ' CZ ' ' N' ' 19' ' ' PHE . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.707 HD12 HG21 ' O' ' 32' ' ' ILE . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' M' ' 34' ' ' LEU . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.433 ' HB2' HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' O' ' 36' ' ' VAL . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.853 HG12 HG22 ' M' ' 39' ' ' VAL . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.642 HG12 ' CG1' ' O' ' 40' ' ' VAL . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.592 HD12 HG12 ' O' ' 41' ' ' ILE . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 1.163 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -125.03 -42.84 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -156.85 -177.93 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.33 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.408 ' HB ' HG12 ' P' ' 18' ' ' VAL . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' P' ' 24' ' ' VAL . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' O' ' 30' ' ' ALA . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' O' ' 19' ' ' PHE . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.406 HD13 HG21 ' N' ' 39' ' ' VAL . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.552 HD12 HD22 ' N' ' 34' ' ' LEU . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.427 ' HE1' HD23 ' F' ' 17' ' ' LEU . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' N' ' 36' ' ' VAL . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.762 HG12 HG22 ' N' ' 39' ' ' VAL . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.838 HG23 HG13 ' P' ' 40' ' ' VAL . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 41' ' ' ILE . . . . . 0.592 HG12 HD12 ' N' ' 41' ' ' ILE . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 42' ' ' ALA . . . . . 1.052 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.12 41.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -123.32 115.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -153.58 121.47 6.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.74 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' Q' ' 18' ' ' VAL . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 19' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.561 ' CG2' HG13 ' O' ' 24' ' ' VAL . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' P' ' 30' ' ' ALA . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.506 ' HA3' HG21 ' P' ' 41' ' ' ILE . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' P' ' 27' ' ' ASN . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.676 ' CG1' HD11 ' P' ' 41' ' ' ILE . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.487 ' HB2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.948 HG22 HG12 ' Q' ' 36' ' ' VAL . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.742 HG23 HG23 ' O' ' 39' ' ' VAL . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.838 HG13 HG23 ' O' ' 40' ' ' VAL . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 41' ' ' ILE . . . . . 0.676 HD11 ' CG1' ' P' ' 31' ' ' ILE . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 1.052 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.26 -37.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.92 131.37 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -114.31 -66.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 17' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' P' ' 18' ' ' VAL . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 19' ' ' PHE . . . . . 0.528 ' HE2' ' HB1' ' Q' ' 30' ' ' ALA . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 30' ' ' ALA . . . . . 0.528 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 31' ' ' ILE . . . . . 0.599 ' HB ' HG22 ' R' ' 31' ' ' ILE . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . 0.463 HD11 HD12 ' Q' ' 17' ' ' LEU . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 34' ' ' LEU . . . . . 0.489 HD13 HD23 ' R' ' 34' ' ' LEU . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 35' ' ' MET . . . . . 0.474 ' HE1' ' HB3' ' H' ' 15' ' ' GLN . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 36' ' ' VAL . . . . . 0.948 HG12 HG22 ' P' ' 36' ' ' VAL . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG1' ' P' ' 39' ' ' VAL . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 40' ' ' VAL . . . . . 0.489 HG23 HG13 ' R' ' 40' ' ' VAL . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 41' ' ' ILE . . . . . 0.912 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 42' ' ' ALA . . . . . 0.912 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.32 155.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.63 171.18 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -151.1 120.48 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 17' ' ' LEU . . . . . 0.767 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 18' ' ' VAL . . . . . 0.675 HG12 ' CG2' ' Q' ' 18' ' ' VAL . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 19' ' ' PHE . . . . . 0.519 ' HE1' ' HB1' ' R' ' 30' ' ' ALA . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 20' ' ' PHE . . . . . 0.526 ' HB3' HG21 ' R' ' 24' ' ' VAL . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 24' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' R' ' 20' ' ' PHE . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HE1' ' R' ' 19' ' ' PHE . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 31' ' ' ILE . . . . . 0.759 HD13 HG11 ' R' ' 39' ' ' VAL . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 32' ' ' ILE . . . . . 0.44 HD13 ' N ' ' R' ' 33' ' ' GLY . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' R' R ' 33' ' ' GLY . . . . . 0.548 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 34' ' ' LEU . . . . . 0.489 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 36' ' ' VAL . . . . . 0.639 HG12 ' CG2' ' Q' ' 36' ' ' VAL . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' R' R ' 39' ' ' VAL . . . . . 0.759 HG11 HD13 ' R' ' 31' ' ' ILE . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 40' ' ' VAL . . . . . 0.489 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 41' ' ' ILE . . . . . 0.669 HG22 ' CG1' ' Q' ' 41' ' ' ILE . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' R' R ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG23 HG12 ' B' ' 18' ' ' VAL . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HD13 ' A' ' 32' ' ' ILE . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' B' ' 24' ' ' VAL . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.505 ' HB2' HG21 ' A' ' 24' ' ' VAL . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HE2' ' A' ' 20' ' ' PHE . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' B' ' 31' ' ' ILE . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' B' ' 32' ' ' ILE . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD22 ' J' ' 17' ' ' LEU . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.946 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' B' ' 40' ' ' VAL . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.05 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' C' ' 17' ' ' LEU . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 18' ' ' VAL . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.676 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 24' ' ' VAL . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.54 ' HB3' HG11 ' B' ' 24' ' ' VAL . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.946 HD13 HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' A' ' 32' ' ' ILE . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.528 HD23 ' CD1' ' A' ' 34' ' ' LEU . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' C' ' 36' ' ' VAL . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.849 HG11 HG21 ' B' ' 31' ' ' ILE . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' A' ' 40' ' ' VAL . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.505 HG21 ' HA2' ' C' ' 29' ' ' GLY . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 1.05 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.704 0.288 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.851 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 18' ' ' VAL . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' C' ' 30' ' ' ALA . 2.5 t30 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.553 ' HA3' HG23 ' C' ' 41' ' ' ILE . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.433 ' HB2' HD21 ' C' ' 27' ' ' ASN . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.686 ' CG2' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.851 HD11 HD11 ' C' ' 17' ' ' LEU . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.7 HD22 HD13 ' D' ' 34' ' ' LEU . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.718 HG12 HG22 ' B' ' 36' ' ' VAL . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.9 HG11 HD13 ' D' ' 31' ' ' ILE . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' D' ' 40' ' ' VAL . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.841 HG21 ' HA2' ' D' ' 29' ' ' GLY . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.787 0.327 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.718 HG12 ' CG2' ' C' ' 18' ' ' VAL . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.591 HG11 ' OD1' ' D' ' 27' ' ' ASN . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.591 ' OD1' HG11 ' D' ' 24' ' ' VAL . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.841 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.9 HD13 HG11 ' C' ' 39' ' ' VAL . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.831 HG21 HD12 ' C' ' 32' ' ' ILE . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' C' ' 34' ' ' LEU . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' M' ' 17' ' ' LEU . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' E' ' 36' ' ' VAL . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.787 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.706 HG12 HG22 ' E' ' 40' ' ' VAL . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' C' ' 41' ' ' ILE . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.83 HD11 HD11 ' E' ' 32' ' ' ILE . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' E' ' 21' ' ' ALA . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.571 ' CD2' HG21 ' E' ' 24' ' ' VAL . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' E' ' 18' ' ' VAL . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.53 ' O ' HG23 ' E' ' 24' ' ' VAL . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' E' ' 20' ' ' PHE . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.644 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.768 HD12 HD11 ' E' ' 41' ' ' ILE . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.83 HD11 HD11 ' E' ' 17' ' ' LEU . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.56 ' SD ' HD23 ' N' ' 17' ' ' LEU . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.984 HG12 HG22 ' D' ' 36' ' ' VAL . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.787 HG23 HG13 ' D' ' 39' ' ' VAL . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.706 HG22 HG12 ' D' ' 40' ' ' VAL . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.768 HD11 HD12 ' E' ' 31' ' ' ILE . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.486 ' OXT' ' HE2' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.555 HD12 ' SD ' ' O' ' 35' ' ' MET . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.717 ' O ' HG23 ' F' ' 24' ' ' VAL . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.717 HG23 ' O ' ' F' ' 22' ' ' GLU . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.486 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.477 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG21 ' F' ' 39' ' ' VAL . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' G' ' 32' ' ' ILE . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.407 ' HG3' HD21 ' O' ' 34' ' ' LEU . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.959 HG23 HG23 ' E' ' 36' ' ' VAL . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.759 HG21 HG21 ' F' ' 31' ' ' ILE . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.717 ' CD1' HD12 ' E' ' 41' ' ' ILE . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.598 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.719 0.295 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.447 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' G' ' 22' ' ' GLU . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.598 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.692 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' F' ' 31' ' ' ILE . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' Q' ' 35' ' ' MET . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.472 ' CB ' HD21 ' P' ' 34' ' ' LEU . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.861 HG22 HG12 ' H' ' 36' ' ' VAL . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.732 HG23 HG13 ' H' ' 39' ' ' VAL . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.818 HD12 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.818 ' OXT' HD12 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.824 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.528 ' O ' HG23 ' H' ' 24' ' ' VAL . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.649 HG11 ' OD1' ' H' ' 27' ' ' ASN . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.649 ' OD1' HG11 ' H' ' 24' ' ' VAL . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.49 ' HA3' HG23 ' H' ' 41' ' ' ILE . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.754 HG21 HD12 ' I' ' 31' ' ' ILE . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.815 HD12 HG21 ' I' ' 32' ' ' ILE . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' Q' ' 34' ' ' LEU . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.637 ' HG3' HD11 ' Q' ' 34' ' ' LEU . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.861 HG12 HG22 ' G' ' 36' ' ' VAL . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.732 HG13 HG23 ' G' ' 39' ' ' VAL . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.502 HG21 ' HA2' ' I' ' 29' ' ' GLY . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.832 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' H' ' 17' ' ' LEU . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.426 ' HA ' HG13 ' H' ' 18' ' ' VAL . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD12 ' I' ' 32' ' ' ILE . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.502 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' H' ' 31' ' ' ILE . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.815 HG21 HD12 ' H' ' 32' ' ' ILE . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.432 HD23 HD22 ' H' ' 34' ' ' LEU . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' H' ' 36' ' ' VAL . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.832 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 35' ' ' MET . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' J' ' 27' ' ' ASN . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' J' ' 24' ' ' VAL . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.424 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.584 HD12 HD12 ' K' ' 34' ' ' LEU . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.632 HG11 HD12 ' K' ' 31' ' ' ILE . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.625 HG23 HG13 ' K' ' 40' ' ' VAL . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' K' ' 41' ' ' ILE . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 1.262 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.626 HG13 HG23 ' L' ' 18' ' ' VAL . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.682 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . 0.513 ' HE2' HG13 ' K' ' 24' ' ' VAL . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' L' ' 22' ' ' GLU . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.513 HG13 ' HE2' ' K' ' 20' ' ' PHE . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' K' ' 41' ' ' ILE . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.915 HG21 HG11 ' K' ' 39' ' ' VAL . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' L' ' 32' ' ' ILE . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.617 ' CD2' HD23 ' L' ' 34' ' ' LEU . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.915 HG11 HG21 ' K' ' 31' ' ' ILE . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.637 HG23 HG13 ' L' ' 40' ' ' VAL . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' K' ' 29' ' ' GLY . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 1.262 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.626 HG23 HG13 ' K' ' 18' ' ' VAL . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.59 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . 0.449 ' N ' ' HB3' ' K' ' 21' ' ' ALA . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.698 ' HA ' HG12 ' M' ' 24' ' ' VAL . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.777 HG23 HG23 ' K' ' 31' ' ' ILE . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.791 HG21 HD12 ' K' ' 32' ' ' ILE . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.949 HD12 HD22 ' M' ' 34' ' ' LEU . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.468 ' CE ' HD23 ' B' ' 17' ' ' LEU . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.822 HG22 HG12 ' M' ' 39' ' ' VAL . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.645 HG23 HG13 ' M' ' 40' ' ' VAL . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.792 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.436 ' HA ' HG13 ' L' ' 18' ' ' VAL . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' L' ' 24' ' ' VAL . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.659 HD12 HG21 ' N' ' 32' ' ' ILE . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.949 HD22 HD12 ' L' ' 34' ' ' LEU . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.739 ' CE ' HD23 ' C' ' 17' ' ' LEU . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.761 HG22 HG12 ' N' ' 36' ' ' VAL . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.822 HG12 HG22 ' L' ' 39' ' ' VAL . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.645 HG13 HG23 ' L' ' 40' ' ' VAL . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 1.001 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.595 ' HE1' HG11 ' O' ' 24' ' ' VAL . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.533 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.451 HG13 HD11 ' N' ' 41' ' ' ILE . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.659 HG21 HD12 ' M' ' 32' ' ' ILE . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.499 ' HB3' HD21 ' D' ' 34' ' ' LEU . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.761 HG12 HG22 ' M' ' 36' ' ' VAL . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' O' ' 39' ' ' VAL . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.779 HG23 HG13 ' O' ' 40' ' ' VAL . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.451 HD11 HG13 ' N' ' 31' ' ' ILE . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 1.001 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.612 ' HB2' HD12 ' O' ' 32' ' ' ILE . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . 0.61 ' CE2' HG13 ' O' ' 24' ' ' VAL . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.533 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' HB1' ' N' ' 21' ' ' ALA . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' O' ' 20' ' ' PHE . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.664 HG12 HD11 ' O' ' 41' ' ' ILE . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' O' ' 19' ' ' PHE . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' E' ' 35' ' ' MET . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.82 ' HE1' HD23 ' E' ' 17' ' ' LEU . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.604 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' N' ' 39' ' ' VAL . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.779 HG13 HG23 ' N' ' 40' ' ' VAL . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.664 HD11 HG12 ' O' ' 31' ' ' ILE . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.623 HG13 HG23 ' Q' ' 18' ' ' VAL . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' P' ' 32' ' ' ILE . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.542 ' CE1' HG21 ' Q' ' 24' ' ' VAL . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' Q' ' 22' ' ' GLU . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.692 ' HA ' HG22 ' Q' ' 24' ' ' VAL . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' P' ' 19' ' ' PHE . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' G' ' 35' ' ' MET . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HE1' ' Q' ' 35' ' ' MET . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' Q' ' 36' ' ' VAL . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.719 HG12 ' CG1' ' O' ' 39' ' ' VAL . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.556 HG23 HG13 ' Q' ' 40' ' ' VAL . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' Q' ' 41' ' ' ILE . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.819 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.623 HG23 HG13 ' P' ' 18' ' ' VAL . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . 0.533 ' N ' ' HB3' ' P' ' 21' ' ' ALA . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.692 HG22 ' HA ' ' P' ' 24' ' ' VAL . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' Q' ' 19' ' ' PHE . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' R' ' 31' ' ' ILE . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.67 HD12 HG21 ' R' ' 32' ' ' ILE . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' H' ' 34' ' ' LEU . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.52 ' SD ' HD11 ' G' ' 34' ' ' LEU . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' P' ' 36' ' ' VAL . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.604 HG11 HG21 ' Q' ' 31' ' ' ILE . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.633 HG23 HG13 ' R' ' 40' ' ' VAL . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' P' ' 41' ' ' ILE . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.819 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.705 0.288 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' R' ' 18' ' ' VAL . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.595 HG23 HG13 ' Q' ' 18' ' ' VAL . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.64 ' HD2' HD13 ' R' ' 32' ' ' ILE . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' R' ' 30' ' ' ALA . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . 0.423 ' O ' HD12 ' R' ' 41' ' ' ILE . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' R' ' 27' ' ' ASN . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' Q' ' 31' ' ' ILE . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.67 HG21 HD12 ' Q' ' 32' ' ' ILE . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.73 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.633 HG13 HG23 ' Q' ' 40' ' ' VAL . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.423 HD12 ' O ' ' R' ' 29' ' ' GLY . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HE2' ' A' ' 19' ' ' PHE . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 31' ' ' ILE . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 17' ' ' LEU . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' B' ' 34' ' ' LEU . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 36' ' ' VAL . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.821 HG23 HG23 ' B' ' 39' ' ' VAL . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG23 HG13 ' B' ' 40' ' ' VAL . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.948 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.628 HG23 ' HD3' ' B' ' 16' ' ' LYS . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD3' HG23 ' B' ' 12' ' ' VAL . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.862 HD11 HD11 ' B' ' 32' ' ' ILE . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' B' ' 32' ' ' ILE . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.638 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.423 HD12 ' HB ' ' A' ' 31' ' ' ILE . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.886 HD12 HG21 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.43 ' O ' HG12 ' B' ' 36' ' ' VAL . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' K' ' 34' ' ' LEU . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.425 ' HB2' HD21 ' K' ' 34' ' ' LEU . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.941 HG13 HG23 ' C' ' 39' ' ' VAL . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.601 HG13 HG23 ' A' ' 40' ' ' VAL . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 41' ' ' ILE . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.948 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.747 0.308 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.831 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.495 ' HE1' ' HB1' ' C' ' 30' ' ' ALA . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' D' ' 24' ' ' VAL . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' B' ' 20' ' ' PHE . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' C' ' 41' ' ' ILE . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.498 ' CA ' HD13 ' C' ' 41' ' ' ILE . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' HE1' ' C' ' 19' ' ' PHE . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.886 HG21 HD12 ' B' ' 32' ' ' ILE . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' L' ' 34' ' ' LEU . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.643 ' HB2' HD21 ' L' ' 34' ' ' LEU . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' D' ' 36' ' ' VAL . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.941 HG23 HG13 ' B' ' 39' ' ' VAL . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' D' ' 40' ' ' VAL . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.702 HD12 ' N ' ' C' ' 42' ' ' ALA . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.732 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.686 HG12 HG12 ' E' ' 18' ' ' VAL . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' D' ' 24' ' ' VAL . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.471 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' D' ' 20' ' ' PHE . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.501 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.501 HD13 ' O ' ' D' ' 30' ' ' ALA . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.464 HD12 ' N ' ' D' ' 33' ' ' GLY . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.464 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' C' ' 36' ' ' VAL . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.868 HG22 HG12 ' E' ' 39' ' ' VAL . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.66 HG13 HG23 ' C' ' 40' ' ' VAL . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.775 HG21 ' HA2' ' E' ' 29' ' ' GLY . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.516 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.701 HG22 HG12 ' F' ' 18' ' ' VAL . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.429 ' HE2' HG21 ' F' ' 24' ' ' VAL . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' D' ' 20' ' ' PHE . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' E' ' 30' ' ' ALA . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.775 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' OD1' ' E' ' 27' ' ' ASN . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.772 HG21 HD12 ' F' ' 31' ' ' ILE . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.464 HG12 HD13 ' D' ' 32' ' ' ILE . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' F' ' 34' ' ' LEU . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.458 ' CB ' HD21 ' N' ' 34' ' ' LEU . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.89 HG12 HG12 ' D' ' 36' ' ' VAL . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.868 HG12 HG22 ' D' ' 39' ' ' VAL . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.56 HG22 HD12 ' D' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.328 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' G' ' 18' ' ' VAL . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' F' ' 32' ' ' ILE . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.476 HG22 ' CE2' ' F' ' 20' ' ' PHE . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.537 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.83 HG21 HD12 ' G' ' 31' ' ' ILE . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.452 HD12 ' HD2' ' F' ' 19' ' ' PHE . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.583 ' O ' HD12 ' F' ' 34' ' ' LEU . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' E' ' 34' ' ' LEU . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.738 HG23 HG23 ' E' ' 36' ' ' VAL . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.734 HG11 ' CD1' ' G' ' 31' ' ' ILE . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.664 HG21 ' HA2' ' G' ' 29' ' ' GLY . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.641 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.684 0.278 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.721 HG12 HG22 ' F' ' 18' ' ' VAL . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' G' ' 32' ' ' ILE . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.606 ' HE1' HG21 ' H' ' 24' ' ' VAL . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.408 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.73 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.744 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.73 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.83 HD12 HG21 ' F' ' 31' ' ' ILE . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.704 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' H' ' 34' ' ' LEU . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.556 ' SD ' HD23 ' P' ' 17' ' ' LEU . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' H' ' 36' ' ' VAL . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' H' ' 39' ' ' VAL . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.744 HG23 ' HA3' ' G' ' 29' ' ' GLY . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.71 0.29 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.748 ' HB3' HD22 ' G' ' 17' ' ' LEU . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.681 HG22 HG22 ' G' ' 18' ' ' VAL . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' I' ' 24' ' ' VAL . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.606 HG21 ' HE1' ' G' ' 20' ' ' PHE . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.737 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.633 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.724 HG12 HG21 ' H' ' 39' ' ' VAL . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.704 HG21 HD12 ' G' ' 32' ' ' ILE . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' R' ' 35' ' ' MET . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' G' ' 36' ' ' VAL . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.88 HG12 HG22 ' I' ' 39' ' ' VAL . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' I' ' 40' ' ' VAL . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.834 HG21 ' HA2' ' I' ' 29' ' ' GLY . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' I' ' 32' ' ' ILE . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.693 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.834 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.693 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.575 HD11 HG12 ' I' ' 41' ' ' ILE . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.47 HD11 HD12 ' I' ' 17' ' ' LEU . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.549 ' SD ' HD23 ' R' ' 17' ' ' LEU . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' I' ' 39' ' ' VAL . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.88 HG22 HG12 ' H' ' 39' ' ' VAL . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' H' ' 40' ' ' VAL . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.575 HG12 HD11 ' I' ' 31' ' ' ILE . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.689 0.281 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' O ' ' J' ' 17' ' ' LEU . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' K' ' 32' ' ' ILE . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' K' ' 24' ' ' VAL . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' K' ' 32' ' ' ILE . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' K' ' 34' ' ' LEU . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.505 HG22 HG12 ' K' ' 36' ' ' VAL . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.407 ' HB ' HG22 ' K' ' 39' ' ' VAL . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.593 HG23 HG13 ' K' ' 40' ' ' VAL . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.7 HG22 HG22 ' K' ' 41' ' ' ILE . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 1.04 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.734 0.302 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.411 HD23 ' N ' ' K' ' 18' ' ' VAL . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.411 ' N ' HD23 ' K' ' 17' ' ' LEU . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' K' ' 24' ' ' VAL . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' J' ' 24' ' ' VAL . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 1.04 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 1.115 HD11 HG21 ' K' ' 41' ' ' ILE . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' J' ' 19' ' ' PHE . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' B' ' 34' ' ' LEU . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.645 ' SD ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.627 HG22 HG12 ' L' ' 36' ' ' VAL . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.594 HG11 HD12 ' L' ' 31' ' ' ILE . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.593 HG13 HG23 ' J' ' 40' ' ' VAL . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 1.115 HG21 HD11 ' K' ' 31' ' ' ILE . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.921 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 1.002 HG21 ' HB2' ' L' ' 21' ' ' ALA . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' L' ' 24' ' ' VAL . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 1.002 ' HB2' HG21 ' L' ' 18' ' ' VAL . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.612 HG22 ' CE2' ' L' ' 20' ' ' PHE . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.439 ' HB2' HG11 ' L' ' 24' ' ' VAL . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' K' ' 41' ' ' ILE . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.405 ' O ' HD12 ' K' ' 31' ' ' ILE . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.594 HD12 HG11 ' K' ' 39' ' ' VAL . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.65 HD12 HG21 ' M' ' 32' ' ' ILE . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' M' ' 34' ' ' LEU . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' M' ' 36' ' ' VAL . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.563 HG11 HG21 ' L' ' 31' ' ' ILE . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 HG22 ' M' ' 40' ' ' VAL . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.699 ' HB ' HG22 ' M' ' 41' ' ' ILE . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.942 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.765 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.658 HG23 HG13 ' L' ' 18' ' ' VAL . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . 0.583 ' HE1' HG21 ' N' ' 24' ' ' VAL . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' M' ' 18' ' ' VAL . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.612 HD13 ' CG1' ' M' ' 39' ' ' VAL . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.802 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' L' ' 34' ' ' LEU . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.574 ' SD ' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' L' ' 36' ' ' VAL . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' M' ' 31' ' ' ILE . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.768 HG12 HG22 ' N' ' 40' ' ' VAL . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.699 HG22 ' HB ' ' L' ' 41' ' ' ILE . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.942 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.746 0.308 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' O' ' 18' ' ' VAL . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.435 ' HB2' HG21 ' N' ' 18' ' ' VAL . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' O' ' 24' ' ' VAL . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.802 HG21 HD12 ' M' ' 32' ' ' ILE . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' M' ' 34' ' ' LEU . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.672 ' CG1' HG12 ' O' ' 36' ' ' VAL . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.812 HG22 HG12 ' O' ' 39' ' ' VAL . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.768 HG22 HG12 ' M' ' 40' ' ' VAL . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.602 HG12 HD11 ' M' ' 41' ' ' ILE . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.71 0.291 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' N' ' 18' ' ' VAL . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' O' ' 32' ' ' ILE . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.674 ' HB2' HG11 ' O' ' 18' ' ' VAL . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' N' ' 24' ' ' VAL . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.793 HG21 HD12 ' N' ' 32' ' ' ILE . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' P' ' 34' ' ' LEU . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.667 ' HG2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' P' ' 36' ' ' VAL . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.812 HG12 HG22 ' N' ' 39' ' ' VAL . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.738 ' CG1' HG12 ' N' ' 40' ' ' VAL . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 1.111 HD13 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 1.111 ' O ' HD13 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' P' ' 21' ' ' ALA . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' P' ' 32' ' ' ILE . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.405 ' O ' HG23 ' P' ' 24' ' ' VAL . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' P' ' 22' ' ' GLU . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' P' ' 41' ' ' ILE . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.64 HD13 ' CD1' ' Q' ' 31' ' ' ILE . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.663 HD12 HG21 ' Q' ' 32' ' ' ILE . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.453 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' F' ' 34' ' ' LEU . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' Q' ' 36' ' ' VAL . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.65 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.722 HG12 ' CG1' ' Q' ' 40' ' ' VAL . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.747 HD11 HD11 ' Q' ' 31' ' ' ILE . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.409 ' N ' HD23 ' Q' ' 17' ' ' LEU . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . 0.521 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.584 HG13 HG23 ' R' ' 24' ' ' VAL . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' P' ' 41' ' ' ILE . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.747 HD11 HD11 ' P' ' 41' ' ' ILE . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.663 HG21 HD12 ' P' ' 32' ' ' ILE . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . 0.631 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.728 HD22 HD12 ' R' ' 34' ' ' LEU . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.652 ' CE ' HD23 ' H' ' 17' ' ' LEU . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.742 HG12 HG22 ' P' ' 36' ' ' VAL . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.692 HG22 HG12 ' R' ' 39' ' ' VAL . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.722 ' CG1' HG12 ' P' ' 40' ' ' VAL . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' R' ' 29' ' ' GLY . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.626 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' I' ' 35' ' ' MET . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' R' ' 21' ' ' ALA . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.406 ' CZ ' ' HB1' ' R' ' 30' ' ' ALA . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' R' ' 18' ' ' VAL . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.584 HG23 HG13 ' Q' ' 24' ' ' VAL . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' R' ' 19' ' ' PHE . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.686 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.728 HD12 HD22 ' Q' ' 34' ' ' LEU . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.6 ' HB2' HD11 ' H' ' 34' ' ' LEU . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.644 HG23 HG23 ' Q' ' 36' ' ' VAL . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.692 HG12 HG22 ' Q' ' 39' ' ' VAL . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' Q' ' 40' ' ' VAL . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' Q' ' 41' ' ' ILE . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.561 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.736 0.303 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' B' ' 17' ' ' LEU . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' B' ' 18' ' ' VAL . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.733 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' A' ' 20' ' ' PHE . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 42' ' ' ALA . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.702 HG21 HD12 ' B' ' 31' ' ' ILE . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 34' ' ' LEU . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' B' ' 34' ' ' LEU . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.455 ' SD ' HD21 ' K' ' 17' ' ' LEU . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 36' ' ' VAL . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.044 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 HG13 ' B' ' 40' ' ' VAL . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.284 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 18' ' ' VAL . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 1.044 HD13 HG11 ' A' ' 39' ' ' VAL . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 34' ' ' LEU . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 36' ' ' VAL . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.756 HG13 HG13 ' A' ' 39' ' ' VAL . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.547 HG23 HG23 ' C' ' 40' ' ' VAL . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.743 HD12 ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 1.284 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.508 HG13 HG13 ' B' ' 18' ' ' VAL . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.516 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.886 HD12 HD11 ' C' ' 41' ' ' ILE . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.796 HG21 HD12 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' D' ' 34' ' ' LEU . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.538 HG13 HG23 ' B' ' 36' ' ' VAL . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.781 HG11 HD13 ' C' ' 31' ' ' ILE . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.726 HG12 ' CG1' ' D' ' 40' ' ' VAL . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.886 HD11 HD12 ' C' ' 31' ' ' ILE . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.686 0.279 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.509 HE22 HD23 ' D' ' 17' ' ' LEU . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' D' ' 32' ' ' ILE . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' D' ' 19' ' ' PHE . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.855 HG21 HG21 ' D' ' 39' ' ' VAL . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' E' ' 32' ' ' ILE . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' C' ' 34' ' ' LEU . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.428 ' SD ' HD12 ' M' ' 17' ' ' LEU . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 31' ' ' ILE . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.726 ' CG1' HG12 ' C' ' 40' ' ' VAL . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.671 ' CD1' HD12 ' C' ' 41' ' ' ILE . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.873 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.836 HD11 HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.891 HG21 HG21 ' E' ' 39' ' ' VAL . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' D' ' 32' ' ' ILE . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' D' ' 34' ' ' LEU . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.891 HG21 HG21 ' E' ' 31' ' ' ILE . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.51 HG23 HG13 ' F' ' 40' ' ' VAL . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.674 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.873 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' F' ' 24' ' ' VAL . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.442 HG21 ' CE2' ' F' ' 20' ' ' PHE . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.435 HD11 HG22 ' F' ' 41' ' ' ILE . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' E' ' 32' ' ' ILE . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.458 ' HG3' HD11 ' O' ' 34' ' ' LEU . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.682 HG12 ' CG1' ' E' ' 39' ' ' VAL . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.76 HG23 HG13 ' G' ' 40' ' ' VAL . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.949 HD11 HG23 ' G' ' 41' ' ' ILE . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 1.009 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.599 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.537 HD21 ' HB2' ' G' ' 30' ' ' ALA . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.688 HD12 HD11 ' G' ' 41' ' ' ILE . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.677 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' F' ' 34' ' ' LEU . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.646 HG23 HG23 ' F' ' 39' ' ' VAL . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.76 HG13 HG23 ' F' ' 40' ' ' VAL . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.949 HG23 HD11 ' F' ' 41' ' ' ILE . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 1.009 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' H' ' 27' ' ' ASN . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.576 ' HB2' HG11 ' H' ' 24' ' ' VAL . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.513 HG21 HG21 ' H' ' 39' ' ' VAL . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.677 HG21 HD12 ' G' ' 32' ' ' ILE . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.662 HD22 HD12 ' I' ' 34' ' ' LEU . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.557 HG13 HG23 ' I' ' 39' ' ' VAL . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' I' ' 40' ' ' VAL . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.615 HG22 HG22 ' I' ' 41' ' ' ILE . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 1.176 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.683 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.698 HG21 HG21 ' I' ' 39' ' ' VAL . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.415 HG21 HD12 ' H' ' 32' ' ' ILE . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.662 HD12 HD22 ' H' ' 34' ' ' LEU . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.665 ' HG3' HD11 ' R' ' 34' ' ' LEU . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.698 HG21 HG21 ' I' ' 31' ' ' ILE . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' H' ' 40' ' ' VAL . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.678 HD12 ' OXT' ' I' ' 42' ' ' ALA . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 1.176 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.918 HD12 HD11 ' K' ' 17' ' ' LEU . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.669 HG13 HG23 ' K' ' 18' ' ' VAL . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' K' ' 32' ' ' ILE . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.466 HD12 ' HD2' ' J' ' 19' ' ' PHE . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.582 HD23 ' HG ' ' K' ' 34' ' ' LEU . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.453 ' H ' HG12 ' K' ' 36' ' ' VAL . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.77 HG11 HG13 ' K' ' 31' ' ' ILE . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 HG13 ' K' ' 40' ' ' VAL . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.809 HG21 ' HA2' ' K' ' 29' ' ' GLY . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.84 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.746 0.308 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.918 HD11 HD12 ' J' ' 17' ' ' LEU . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.694 ' CG1' HG12 ' L' ' 18' ' ' VAL . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.569 ' HE1' ' HB1' ' K' ' 30' ' ' ALA . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' K' ' 24' ' ' VAL . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' K' ' 20' ' ' PHE . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.809 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.569 ' HB1' ' HE1' ' K' ' 19' ' ' PHE . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.77 HG13 HG11 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.582 HG23 ' CG2' ' L' ' 32' ' ' ILE . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.61 ' O ' HG13 ' K' ' 36' ' ' VAL . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' L' ' 34' ' ' LEU . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.61 HG13 ' O ' ' K' ' 33' ' ' GLY . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.529 HG11 HG21 ' K' ' 31' ' ' ILE . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.586 HG13 HG23 ' J' ' 40' ' ' VAL . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.407 HG23 ' HA3' ' K' ' 29' ' ' GLY . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.925 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.744 0.306 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.498 ' C ' HD13 ' L' ' 17' ' ' LEU . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG1' ' K' ' 18' ' ' VAL . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.507 ' CG2' HG13 ' K' ' 24' ' ' VAL . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.736 HG23 HG23 ' K' ' 31' ' ' ILE . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' K' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.456 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.879 HD12 HD22 ' K' ' 34' ' ' LEU . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.489 ' HB2' HD11 ' C' ' 34' ' ' LEU . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.558 HG22 HG12 ' M' ' 36' ' ' VAL . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' M' ' 39' ' ' VAL . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.75 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.421 HD11 HG13 ' L' ' 31' ' ' ILE . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.975 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.714 0.292 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' M' ' 18' ' ' VAL . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.626 ' CG1' HG22 ' N' ' 18' ' ' VAL . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.422 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' M' ' 24' ' ' VAL . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' M' ' 20' ' ' PHE . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.521 HD13 HG12 ' N' ' 31' ' ' ILE . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.521 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' L' ' 34' ' ' LEU . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.662 ' HE1' HD23 ' C' ' 17' ' ' LEU . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.558 HG12 HG22 ' L' ' 36' ' ' VAL . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' L' ' 39' ' ' VAL . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.75 HG13 HG23 ' L' ' 40' ' ' VAL . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 1.181 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 1.181 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.709 0.29 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.438 HD23 ' N ' ' N' ' 18' ' ' VAL . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.626 HG22 ' CG1' ' M' ' 18' ' ' VAL . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.531 ' HB3' HG11 ' N' ' 24' ' ' VAL . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.531 HG11 ' HB3' ' N' ' 20' ' ' PHE . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.521 HG12 HD13 ' M' ' 31' ' ' ILE . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.54 HD12 HG21 ' O' ' 32' ' ' ILE . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.57 ' O ' HG13 ' N' ' 36' ' ' VAL . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.546 HD23 HD12 ' M' ' 34' ' ' LEU . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.418 ' HE1' HE22 ' D' ' 15' ' ' GLN . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' N' ' 33' ' ' GLY . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.51 HG13 HD13 ' N' ' 31' ' ' ILE . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' M' ' 40' ' ' VAL . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.888 HD12 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.888 ' OXT' HD12 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.725 0.298 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.433 HD23 ' N ' ' O' ' 18' ' ' VAL . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.433 ' N ' HD23 ' O' ' 17' ' ' LEU . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' O' ' 30' ' ' ALA . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.524 ' O ' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.945 HG13 HG23 ' P' ' 24' ' ' VAL . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.4 ' HB2' HG11 ' O' ' 24' ' ' VAL . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' O' ' 19' ' ' PHE . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.434 HG12 HD11 ' O' ' 41' ' ' ILE . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.54 HG21 HD12 ' N' ' 32' ' ' ILE . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.575 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.611 HD13 ' H ' ' P' ' 34' ' ' LEU . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.643 HG23 HG23 ' P' ' 36' ' ' VAL . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.597 HG13 HG23 ' N' ' 40' ' ' VAL . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.579 HG23 HD11 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.445 ' HB2' ' HE1' ' F' ' 35' ' ' MET . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' P' ' 21' ' ' ALA . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.447 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.945 HG23 HG13 ' O' ' 24' ' ' VAL . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 HD11 ' P' ' 41' ' ' ILE . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.55 HD12 HG21 ' Q' ' 32' ' ' ILE . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.611 ' H ' HD13 ' O' ' 34' ' ' LEU . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.689 HG13 HG23 ' Q' ' 36' ' ' VAL . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.509 HG13 HD13 ' P' ' 31' ' ' ILE . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.602 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' Q' ' 41' ' ' ILE . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.744 0.307 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.714 ' HB ' HG12 ' R' ' 18' ' ' VAL . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . 0.437 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' Q' ' 22' ' ' GLU . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . 0.644 ' HA3' HG21 ' Q' ' 41' ' ' ILE . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.488 HD12 HD11 ' Q' ' 41' ' ' ILE . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.55 HG21 HD12 ' P' ' 32' ' ' ILE . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.818 HD22 HD12 ' R' ' 34' ' ' LEU . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.829 HG13 HG23 ' R' ' 36' ' ' VAL . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.499 ' HB ' HG12 ' R' ' 39' ' ' VAL . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.602 HG13 HG23 ' P' ' 40' ' ' VAL . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.644 HG21 ' HA3' ' Q' ' 29' ' ' GLY . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.714 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' R' ' 32' ' ' ILE . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . 0.63 ' O ' HG23 ' R' ' 24' ' ' VAL . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.63 HG23 ' O ' ' R' ' 22' ' ' GLU . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.451 HD11 HG11 ' Q' ' 36' ' ' VAL . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.789 HD13 ' CE2' ' R' ' 19' ' ' PHE . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.818 HD12 HD22 ' Q' ' 34' ' ' LEU . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' I' ' 17' ' ' LEU . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.829 HG23 HG13 ' Q' ' 36' ' ' VAL . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.516 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.65 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.713 0.292 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' K' ' 35' ' ' MET . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' K' ' 35' ' ' MET . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 32' ' ' ILE . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.939 HD11 HG21 ' A' ' 41' ' ' ILE . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 19' ' ' PHE . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 HD12 ' B' ' 34' ' ' LEU . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.977 HG13 HG23 ' B' ' 36' ' ' VAL . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' HG22 ' B' ' 39' ' ' VAL . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG23 HG13 ' B' ' 40' ' ' VAL . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.939 HG21 HD11 ' A' ' 31' ' ' ILE . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.878 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.958 HD22 HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.637 ' HB ' HG13 ' C' ' 18' ' ' VAL . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.878 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.595 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' C' ' 31' ' ' ILE . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.651 HG23 HG23 ' C' ' 32' ' ' ILE . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 34' ' ' LEU . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.977 HG23 HG13 ' A' ' 36' ' ' VAL . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.564 HG22 ' CG1' ' A' ' 39' ' ' VAL . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 40' ' ' VAL . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.759 HG13 HG22 ' C' ' 41' ' ' ILE . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 1.096 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.764 0.316 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.958 HD12 HD22 ' B' ' 17' ' ' LEU . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.637 HG13 ' HB ' ' B' ' 18' ' ' VAL . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.475 ' HE1' HG11 ' D' ' 24' ' ' VAL . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' D' ' 24' ' ' VAL . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 1.096 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.73 HG21 HG21 ' C' ' 39' ' ' VAL . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.765 HD11 HD11 ' C' ' 17' ' ' LEU . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.575 ' SD ' HD23 ' L' ' 17' ' ' LEU . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' D' ' 36' ' ' VAL . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.73 HG21 HG21 ' C' ' 31' ' ' ILE . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' D' ' 40' ' ' VAL . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.759 HG22 HG13 ' B' ' 41' ' ' ILE . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.719 ' CD1' HD11 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' C' ' 24' ' ' VAL . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.729 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' D' ' 41' ' ' ILE . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.956 HG21 HG11 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' D' ' 17' ' ' LEU . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.578 HD22 ' HG ' ' E' ' 34' ' ' LEU . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' C' ' 36' ' ' VAL . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.956 HG11 HG21 ' D' ' 31' ' ' ILE . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.786 HG23 HG13 ' E' ' 40' ' ' VAL . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.723 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.723 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.55 ' CE2' HG11 ' F' ' 24' ' ' VAL . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.658 HG13 ' CG1' ' F' ' 24' ' ' VAL . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.698 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.82 HG21 HG11 ' E' ' 39' ' ' VAL . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' E' ' 17' ' ' LEU . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD22 ' D' ' 34' ' ' LEU . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.602 ' HE3' ' HB2' ' O' ' 17' ' ' LEU . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.617 HG23 HG13 ' F' ' 36' ' ' VAL . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.82 HG11 HG21 ' E' ' 31' ' ' ILE . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.786 HG13 HG23 ' D' ' 40' ' ' VAL . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.953 HD11 HG23 ' F' ' 41' ' ' ILE . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.762 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.824 HD12 HD11 ' F' ' 32' ' ' ILE . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.676 ' CZ ' ' HB1' ' F' ' 30' ' ' ALA . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.505 ' CZ ' HG21 ' G' ' 24' ' ' VAL . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG13 ' E' ' 24' ' ' VAL . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.712 HG12 HD11 ' F' ' 41' ' ' ILE . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.824 HD11 HD12 ' F' ' 17' ' ' LEU . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.88 HD22 HD12 ' G' ' 34' ' ' LEU . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.547 ' HG2' HD11 ' P' ' 34' ' ' LEU . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' E' ' 36' ' ' VAL . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' G' ' 39' ' ' VAL . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' G' ' 40' ' ' VAL . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.953 HG23 HD11 ' E' ' 41' ' ' ILE . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.769 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.708 0.289 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.757 ' CE1' HD13 ' G' ' 32' ' ' ILE . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' F' ' 21' ' ' ALA . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.505 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' H' ' 30' ' ' ALA . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.606 HD12 HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' H' ' 32' ' ' ILE . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.88 HD12 HD22 ' F' ' 34' ' ' LEU . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.6 ' SD ' HD23 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.544 HG21 HD11 ' G' ' 31' ' ' ILE . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' H' ' 39' ' ' VAL . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.635 HG13 HG23 ' F' ' 40' ' ' VAL . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' H' ' 29' ' ' GLY . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.769 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.727 0.298 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.807 HD11 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' H' ' 30' ' ' ALA . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.668 HG12 HG21 ' H' ' 39' ' ' VAL . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' G' ' 32' ' ' ILE . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.84 HD23 HD23 ' G' ' 34' ' ' LEU . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.537 ' SD ' HD23 ' Q' ' 17' ' ' LEU . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.637 HG13 HG23 ' I' ' 36' ' ' VAL . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' G' ' 39' ' ' VAL . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' I' ' 40' ' ' VAL . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' I' ' 29' ' ' GLY . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.859 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.603 ' CB ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' H' ' 41' ' ' ILE . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.552 HG21 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.69 HG21 HD12 ' H' ' 32' ' ' ILE . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' H' ' 34' ' ' LEU . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.637 HG23 HG13 ' H' ' 36' ' ' VAL . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.555 HG23 HG13 ' H' ' 39' ' ' VAL . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' H' ' 40' ' ' VAL . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.644 HG22 HD11 ' H' ' 41' ' ' ILE . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.518 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.518 HD13 ' O ' ' J' ' 30' ' ' ALA . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.41 ' O ' HG23 ' K' ' 36' ' ' VAL . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.401 ' N ' HG22 ' J' ' 36' ' ' VAL . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.482 HG13 HG21 ' J' ' 31' ' ' ILE . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.656 HG23 HG13 ' K' ' 40' ' ' VAL . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.492 HG21 ' HA2' ' K' ' 29' ' ' GLY . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.427 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.773 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 17' ' ' LEU . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.454 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' K' ' 24' ' ' VAL . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' K' ' 20' ' ' PHE . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' L' ' 31' ' ' ILE . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' L' ' 32' ' ' ILE . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.43 HD22 ' HG ' ' L' ' 34' ' ' LEU . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.642 ' HE1' HD23 ' A' ' 17' ' ' LEU . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.41 HG23 ' O ' ' J' ' 36' ' ' VAL . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.699 HG11 HD12 ' L' ' 31' ' ' ILE . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' J' ' 40' ' ' VAL . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' M' ' 17' ' ' LEU . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' M' ' 21' ' ' ALA . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HA ' HG13 ' M' ' 24' ' ' VAL . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.699 HD12 HG11 ' K' ' 39' ' ' VAL . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.667 HG23 ' HA ' ' K' ' 32' ' ' ILE . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.556 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.452 HD22 HD12 ' M' ' 34' ' ' LEU . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 17' ' ' LEU . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.556 HG13 ' O ' ' L' ' 33' ' ' GLY . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.546 HG13 HG23 ' K' ' 40' ' ' VAL . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' L' ' 17' ' ' LEU . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' L' ' 21' ' ' ALA . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' L' ' 24' ' ' VAL . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.457 HD12 HG21 ' N' ' 32' ' ' ILE . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.632 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.452 HD12 HD22 ' L' ' 34' ' ' LEU . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' N' ' 36' ' ' VAL . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.721 HG22 HG12 ' N' ' 39' ' ' VAL . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' N' ' 40' ' ' VAL . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.53 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' O' ' 18' ' ' VAL . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.457 HG21 HD12 ' M' ' 32' ' ' ILE . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' M' ' 36' ' ' VAL . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.744 HG22 HG12 ' O' ' 39' ' ' VAL . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.562 HG23 HG13 ' O' ' 40' ' ' VAL . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 1.163 HD13 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 1.163 ' O ' HD13 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' P' ' 32' ' ' ILE . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . 0.606 ' HE2' HG11 ' P' ' 24' ' ' VAL . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.423 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.595 HG12 ' HB ' ' P' ' 24' ' ' VAL . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' O' ' 41' ' ' ILE . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.484 HD12 HD11 ' O' ' 41' ' ' ILE . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.445 HD12 HD12 ' P' ' 32' ' ' ILE . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.599 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.903 HD22 HD12 ' P' ' 34' ' ' LEU . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.528 ' HB2' HD11 ' F' ' 34' ' ' LEU . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.599 HG13 ' O ' ' O' ' 33' ' ' GLY . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.744 HG12 HG22 ' N' ' 39' ' ' VAL . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' N' ' 40' ' ' VAL . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.663 HG23 ' CG2' ' N' ' 41' ' ' ILE . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.893 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.828 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.798 HG13 HG23 ' O' ' 18' ' ' VAL . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.572 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' Q' ' 21' ' ' ALA . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' O' ' 20' ' ' PHE . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.68 HG23 HG23 ' Q' ' 32' ' ' ILE . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.613 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.903 HD12 HD22 ' O' ' 34' ' ' LEU . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.517 ' HB2' HD11 ' G' ' 34' ' ' LEU . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.613 HG13 ' O ' ' P' ' 33' ' ' GLY . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.712 HG12 HG22 ' O' ' 39' ' ' VAL . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.557 HG13 HG23 ' O' ' 40' ' ' VAL . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.537 HD12 HD11 ' Q' ' 31' ' ' ILE . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.893 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.696 0.284 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.812 HD11 HD11 ' Q' ' 32' ' ' ILE . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . 0.629 ' CE1' HG11 ' R' ' 24' ' ' VAL . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' R' ' 21' ' ' ALA . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' P' ' 20' ' ' PHE . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.801 HD12 HD11 ' Q' ' 41' ' ' ILE . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.812 HD11 HD11 ' Q' ' 17' ' ' LEU . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . 0.663 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' P' ' 34' ' ' LEU . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.469 ' HE3' HD21 ' G' ' 34' ' ' LEU . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.663 HG13 ' O ' ' Q' ' 33' ' ' GLY . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.728 ' CG1' HD13 ' Q' ' 31' ' ' ILE . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.536 HG13 HG23 ' P' ' 40' ' ' VAL . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.801 HD11 HD12 ' Q' ' 31' ' ' ILE . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.565 ' HB3' ' C ' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.768 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' R' ' 24' ' ' VAL . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.629 HG11 ' CE1' ' Q' ' 20' ' ' PHE . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.77 HG21 HG21 ' R' ' 39' ' ' VAL . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.623 HG21 HD12 ' Q' ' 32' ' ' ILE . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . 0.461 ' N ' HD13 ' R' ' 32' ' ' ILE . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.445 HD12 HD12 ' Q' ' 34' ' ' LEU . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.62 ' SD ' HD11 ' H' ' 34' ' ' LEU . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.513 HG12 HG22 ' Q' ' 36' ' ' VAL . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.77 HG21 HG21 ' R' ' 31' ' ' ILE . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.508 HG23 HG23 ' Q' ' 40' ' ' VAL . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.477 ' O ' HG13 ' B' ' 12' ' ' VAL . 74.0 m-70 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' B' ' 12' ' ' VAL . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' ASN . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.682 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.6 p30 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 30' ' ' ALA . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 HG23 ' B' ' 32' ' ' ILE . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.684 ' O ' HG13 ' B' ' 36' ' ' VAL . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.437 HG11 HD12 ' B' ' 31' ' ' ILE . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 HG13 ' B' ' 40' ' ' VAL . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' HIS . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 32' ' ' ILE . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' C' ' 18' ' ' VAL . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.504 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.615 ' CG1' HD11 ' B' ' 41' ' ' ILE . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.771 HD12 HG21 ' C' ' 32' ' ' ILE . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.487 ' HG3' HD12 ' L' ' 34' ' ' LEU . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.684 HG13 ' O ' ' A' ' 36' ' ' VAL . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.519 HG13 HG23 ' A' ' 40' ' ' VAL . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 41' ' ' ILE . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.837 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.784 0.326 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.616 ' CD2' HD11 ' C' ' 32' ' ' ILE . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' B' ' 18' ' ' VAL . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.613 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' C' ' 27' ' ' ASN . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.634 ' HB2' HG11 ' C' ' 24' ' ' VAL . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.759 HD12 HD11 ' C' ' 41' ' ' ILE . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.771 HG21 HD12 ' B' ' 32' ' ' ILE . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.702 ' HB2' HD13 ' L' ' 34' ' ' LEU . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' D' ' 36' ' ' VAL . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.595 ' CG2' HG22 ' D' ' 39' ' ' VAL . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' D' ' 40' ' ' VAL . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.759 HD11 HD12 ' C' ' 31' ' ' ILE . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.704 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' E' ' 24' ' ' VAL . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.561 ' HB2' HG11 ' D' ' 24' ' ' VAL . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' E' ' 31' ' ' ILE . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.705 HD12 HG21 ' E' ' 32' ' ' ILE . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.421 ' HB2' HD13 ' M' ' 34' ' ' LEU . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' C' ' 36' ' ' VAL . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.595 HG22 ' CG2' ' C' ' 39' ' ' VAL . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.638 HG23 HG23 ' E' ' 40' ' ' VAL . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.574 HG22 HG22 ' E' ' 41' ' ' ILE . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.745 0.307 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.9 HD11 HD11 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.432 HG23 HG23 ' F' ' 18' ' ' VAL . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.678 ' CZ ' ' HB1' ' E' ' 30' ' ' ALA . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' D' ' 21' ' ' ALA . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.45 HG21 ' HE1' ' D' ' 20' ' ' PHE . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' E' ' 30' ' ' ALA . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.46 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' D' ' 31' ' ' ILE . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.9 HD11 HD11 ' E' ' 17' ' ' LEU . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.453 ' O ' HG12 ' E' ' 36' ' ' VAL . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.405 HD22 HD12 ' F' ' 34' ' ' LEU . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.578 ' HB2' HD13 ' N' ' 34' ' ' LEU . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.817 HG23 HG13 ' D' ' 36' ' ' VAL . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.762 HG12 HG22 ' F' ' 40' ' ' VAL . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.724 HD11 HG23 ' F' ' 41' ' ' ILE . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 25.9 m170 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.788 HD11 HD11 ' F' ' 32' ' ' ILE . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.58 HG13 HG23 ' G' ' 18' ' ' VAL . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.591 ' HB2' HD13 ' F' ' 32' ' ' ILE . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' G' ' 21' ' ' ALA . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' E' ' 41' ' ' ILE . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.666 HD11 HG13 ' G' ' 31' ' ' ILE . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' G' ' 34' ' ' LEU . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.657 HG13 HG13 ' E' ' 36' ' ' VAL . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.593 HG11 HG12 ' F' ' 31' ' ' ILE . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.762 HG22 HG12 ' E' ' 40' ' ' VAL . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.724 HG23 HD11 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.738 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' H' ' 18' ' ' VAL . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.672 ' HB2' HD13 ' G' ' 32' ' ' ILE . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' F' ' 21' ' ' ALA . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.632 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.645 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.632 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' G' ' 39' ' ' VAL . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.843 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' F' ' 34' ' ' LEU . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.426 ' SD ' HD12 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' G' ' 31' ' ' ILE . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.699 HG21 ' HA2' ' H' ' 29' ' ' GLY . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.717 0.294 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.536 HD22 HD11 ' H' ' 32' ' ' ILE . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' G' ' 18' ' ' VAL . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.699 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.99 HG21 HG11 ' H' ' 39' ' ' VAL . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.843 HG21 HD12 ' G' ' 32' ' ' ILE . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' R' ' 34' ' ' LEU . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' I' ' 36' ' ' VAL . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.99 HG11 HG21 ' H' ' 31' ' ' ILE . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.745 HG21 ' HA2' ' I' ' 29' ' ' GLY . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.468 HD21 HD11 ' I' ' 32' ' ' ILE . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.41 ' N ' HD23 ' I' ' 17' ' ' LEU . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.669 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.67 ' OD1' ' HB2' ' I' ' 30' ' ' ALA . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.745 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' OD1' ' I' ' 27' ' ' ASN . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.877 HG23 HG23 ' H' ' 31' ' ' ILE . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.755 HG21 HD12 ' H' ' 32' ' ' ILE . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.538 ' C ' HD22 ' I' ' 34' ' ' LEU . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.538 HD22 ' C ' ' I' ' 33' ' ' GLY . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.77 ' HE2' HD23 ' R' ' 17' ' ' LEU . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' H' ' 36' ' ' VAL . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.499 HG23 ' HA3' ' I' ' 29' ' ' GLY . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.706 ' HB2' HD22 ' K' ' 17' ' ' LEU . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.578 ' H ' HD23 ' K' ' 17' ' ' LEU . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' J' ' 32' ' ' ILE . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' C ' ' K' ' 21' ' ' ALA . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.633 HG21 HG13 ' J' ' 39' ' ' VAL . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' J' ' 19' ' ' PHE . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' K' ' 34' ' ' LEU . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.662 ' H ' HG12 ' K' ' 36' ' ' VAL . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.633 HG13 HG21 ' J' ' 31' ' ' ILE . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.619 HG23 HG13 ' K' ' 40' ' ' VAL . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.454 HG22 HD11 ' K' ' 31' ' ' ILE . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.77 0.319 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' J' ' 17' ' ' LEU . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' L' ' 32' ' ' ILE . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.454 HD11 HG22 ' J' ' 41' ' ' ILE . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.587 HD11 HD11 ' K' ' 17' ' ' LEU . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' J' ' 34' ' ' LEU . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.662 HG12 ' H ' ' J' ' 36' ' ' VAL . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.619 HG13 HG23 ' J' ' 40' ' ' VAL . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.93 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' K' ' 17' ' ' LEU . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' M' ' 18' ' ' VAL . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.533 ' HE2' HG21 ' M' ' 24' ' ' VAL . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' K' ' 21' ' ' ALA . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.415 HG13 HD11 ' L' ' 41' ' ' ILE . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.696 HD12 ' CD2' ' K' ' 19' ' ' PHE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.532 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' C' ' 35' ' ' MET . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.611 ' SD ' HD12 ' C' ' 17' ' ' LEU . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.575 ' H ' HG12 ' M' ' 36' ' ' VAL . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.801 ' HB ' HG22 ' M' ' 41' ' ' ILE . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.93 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.883 HD12 HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' L' ' 18' ' ' VAL . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' N' ' 32' ' ' ILE . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.546 ' C ' ' HB3' ' L' ' 21' ' ' ALA . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' L' ' 20' ' ' PHE . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.635 HD12 ' N ' ' M' ' 33' ' ' GLY . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.635 ' N ' HD12 ' M' ' 32' ' ' ILE . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.469 HD22 HD12 ' N' ' 34' ' ' LEU . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.663 HG22 HG12 ' N' ' 36' ' ' VAL . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.846 HG22 HG12 ' N' ' 39' ' ' VAL . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.704 HG23 HG13 ' N' ' 40' ' ' VAL . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.801 HG22 ' HB ' ' L' ' 41' ' ' ILE . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.914 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.742 0.306 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.883 HD22 HD12 ' M' ' 17' ' ' LEU . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.537 ' HE1' HG23 ' N' ' 24' ' ' VAL . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HB3' ' M' ' 21' ' ' ALA . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.537 HG23 ' HE1' ' N' ' 20' ' ' PHE . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.598 ' HB ' HG23 ' O' ' 31' ' ' ILE . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.733 HG21 ' CE2' ' M' ' 19' ' ' PHE . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.501 ' O ' HG13 ' N' ' 36' ' ' VAL . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' E' ' 35' ' ' MET . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.75 ' HE1' HD23 ' E' ' 17' ' ' LEU . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' O' ' 36' ' ' VAL . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.846 HG12 HG22 ' M' ' 39' ' ' VAL . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.704 HG13 HG23 ' M' ' 40' ' ' VAL . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.486 HD13 ' C ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 1.017 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.72 0.295 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.945 HD21 HD11 ' O' ' 32' ' ' ILE . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.503 HG13 HG23 ' P' ' 18' ' ' VAL . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.638 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' P' ' 24' ' ' VAL . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.726 ' O ' HD13 ' O' ' 31' ' ' ILE . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.726 HD13 ' O ' ' O' ' 30' ' ' ALA . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.945 HD11 HD21 ' O' ' 17' ' ' LEU . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' N' ' 36' ' ' VAL . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.681 HG13 HG23 ' P' ' 39' ' ' VAL . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.63 HG23 HG13 ' P' ' 40' ' ' VAL . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.758 HD11 HD11 ' P' ' 31' ' ' ILE . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 1.017 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.731 0.301 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' G' ' 35' ' ' MET . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.503 HG23 HG13 ' O' ' 18' ' ' VAL . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.805 ' HB2' HD12 ' P' ' 32' ' ' ILE . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' Q' ' 24' ' ' VAL . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' C ' ' Q' ' 21' ' ' ALA . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' O' ' 24' ' ' VAL . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.758 HD11 HD11 ' O' ' 41' ' ' ILE . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' P' ' 19' ' ' PHE . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.601 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' G' ' 17' ' ' LEU . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.601 HG13 ' O ' ' P' ' 33' ' ' GLY . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.683 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.63 HG13 HG23 ' O' ' 40' ' ' VAL . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' Q' ' 31' ' ' ILE . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.687 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.561 HG13 HG23 ' R' ' 18' ' ' VAL . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.448 ' C ' ' HB3' ' P' ' 21' ' ' ALA . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' P' ' 20' ' ' PHE . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.705 ' O ' HD13 ' Q' ' 31' ' ' ILE . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.705 HD13 ' O ' ' Q' ' 30' ' ' ALA . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.431 HD13 ' N ' ' Q' ' 33' ' ' GLY . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . 0.431 ' N ' HD13 ' Q' ' 32' ' ' ILE . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' R' ' 34' ' ' LEU . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' P' ' 36' ' ' VAL . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.683 HG12 ' CG1' ' P' ' 39' ' ' VAL . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.655 HG23 HG13 ' R' ' 40' ' ' VAL . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.645 HD12 HD11 ' R' ' 31' ' ' ILE . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 1.172 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.77 HD23 ' HE2' ' I' ' 35' ' ' MET . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.561 HG23 HG13 ' Q' ' 18' ' ' VAL . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' R' ' 32' ' ' ILE . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . 0.569 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.645 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' R' ' 19' ' ' PHE . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . 0.682 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.585 HD11 ' HG2' ' I' ' 35' ' ' MET . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' I' ' 17' ' ' LEU . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.682 HG13 ' O ' ' R' ' 33' ' ' GLY . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.645 HG12 HG22 ' Q' ' 39' ' ' VAL . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.655 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.554 HG22 HD12 ' Q' ' 41' ' ' ILE . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 1.172 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.724 0.297 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.946 HD23 HD13 ' B' ' 17' ' ' LEU . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.787 HG22 HG12 ' B' ' 18' ' ' VAL . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 31' ' ' ILE . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.592 HD12 HG21 ' B' ' 32' ' ' ILE . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' B' ' 34' ' ' LEU . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' HE1' ' B' ' 35' ' ' MET . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.779 HG11 HD12 ' B' ' 31' ' ' ILE . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.813 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.946 HD13 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.787 HG12 HG22 ' A' ' 18' ' ' VAL . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' C' ' 30' ' ' ALA . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.779 HD12 HG11 ' A' ' 39' ' ' VAL . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' C' ' 32' ' ' ILE . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' A' ' 34' ' ' LEU . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.623 ' HE1' HD23 ' J' ' 17' ' ' LEU . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' C' ' 36' ' ' VAL . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' B' ' 31' ' ' ILE . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.873 HD13 ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.873 ' O ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.707 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.646 HG13 ' CG2' ' B' ' 18' ' ' VAL . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.488 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.616 HG13 ' CG2' ' D' ' 24' ' ' VAL . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.651 HG23 ' HA ' ' D' ' 31' ' ' ILE . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' B' ' 32' ' ' ILE . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' L' ' 35' ' ' MET . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.847 ' HE1' HD12 ' L' ' 17' ' ' LEU . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' B' ' 36' ' ' VAL . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.709 HG13 HG13 ' D' ' 39' ' ' VAL . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 HG23 ' B' ' 40' ' ' VAL . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.515 HG22 HG22 ' B' ' 41' ' ' ILE . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.842 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.615 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' D' ' 32' ' ' ILE . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.616 ' CG2' HG13 ' C' ' 24' ' ' VAL . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' D' ' 41' ' ' ILE . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.919 HG21 HG11 ' D' ' 39' ' ' VAL . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.798 HG21 ' CE1' ' D' ' 19' ' ' PHE . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.705 HD22 HD12 ' E' ' 34' ' ' LEU . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.524 ' SD ' HD21 ' M' ' 34' ' ' LEU . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.686 ' CG2' HG13 ' E' ' 36' ' ' VAL . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.919 HG11 HG21 ' D' ' 31' ' ' ILE . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.804 HG21 ' HA2' ' E' ' 29' ' ' GLY . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' E' ' 32' ' ' ILE . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.541 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.804 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.638 HG13 HD11 ' E' ' 41' ' ' ILE . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.741 HD11 ' CE2' ' E' ' 19' ' ' PHE . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' E' ' 36' ' ' VAL . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.705 HD12 HD22 ' D' ' 34' ' ' LEU . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.407 ' HB2' HD11 ' N' ' 34' ' ' LEU . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.686 HG13 ' CG2' ' D' ' 36' ' ' VAL . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.446 ' H ' HG12 ' E' ' 36' ' ' VAL . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.902 HG22 HG12 ' F' ' 39' ' ' VAL . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.614 HG22 ' CG2' ' F' ' 40' ' ' VAL . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.79 HG21 ' HA2' ' F' ' 29' ' ' GLY . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.75 0.31 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' G' ' 17' ' ' LEU . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.485 ' HB ' HG12 ' G' ' 18' ' ' VAL . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.53 ' HE1' ' HB1' ' F' ' 30' ' ' ALA . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' E' ' 20' ' ' PHE . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.79 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.53 ' HB1' ' HE1' ' F' ' 19' ' ' PHE . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.703 HD11 HG13 ' E' ' 41' ' ' ILE . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.706 HD12 HD22 ' G' ' 34' ' ' LEU . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' G' ' 36' ' ' VAL . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.902 HG12 HG22 ' E' ' 39' ' ' VAL . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.614 ' CG2' HG22 ' E' ' 40' ' ' VAL . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' G' ' 29' ' ' GLY . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.308 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.414 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.48 ' CD1' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' G' ' 20' ' ' PHE . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.713 HD22 ' HB2' ' G' ' 30' ' ' ALA . 0.8 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.713 ' HB2' HD22 ' G' ' 27' ' ' ASN . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.796 HG21 HG11 ' G' ' 39' ' ' VAL . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.671 HD11 HD11 ' G' ' 17' ' ' LEU . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 HD12 ' F' ' 34' ' ' LEU . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.523 ' HE1' HD23 ' O' ' 17' ' ' LEU . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' H' ' 36' ' ' VAL . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.796 HG11 HG21 ' G' ' 31' ' ' ILE . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' H' ' 29' ' ' GLY . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' H' ' 32' ' ' ILE . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.747 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' G' ' 20' ' ' PHE . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.497 HG12 HD11 ' G' ' 41' ' ' ILE . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' H' ' 19' ' ' PHE . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.599 HD22 HD13 ' I' ' 34' ' ' LEU . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.77 ' HG3' HD21 ' Q' ' 34' ' ' LEU . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' G' ' 36' ' ' VAL . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.785 HG22 HG12 ' I' ' 39' ' ' VAL . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.553 HG23 HG13 ' I' ' 40' ' ' VAL . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.696 HD12 HG22 ' I' ' 41' ' ' ILE . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' R' ' 35' ' ' MET . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.463 HG23 HG13 ' H' ' 18' ' ' VAL . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.492 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.458 HG21 HD11 ' I' ' 17' ' ' LEU . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.567 ' O ' HG13 ' I' ' 36' ' ' VAL . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.599 HD13 HD22 ' H' ' 34' ' ' LEU . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.7 HG12 HG12 ' H' ' 36' ' ' VAL . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.785 HG12 HG22 ' H' ' 39' ' ' VAL . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.553 HG13 HG23 ' H' ' 40' ' ' VAL . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.696 HG22 HD12 ' H' ' 41' ' ' ILE . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.775 0.322 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.811 HD22 ' HB3' ' K' ' 17' ' ' LEU . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.738 HD13 ' CG1' ' J' ' 39' ' ' VAL . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.404 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' K' ' 34' ' ' LEU . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' K' ' 36' ' ' VAL . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.738 ' CG1' HD13 ' J' ' 31' ' ' ILE . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 ' CG1' ' K' ' 40' ' ' VAL . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.668 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.811 ' HB3' HD22 ' J' ' 17' ' ' LEU . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.441 ' O ' HG23 ' K' ' 24' ' ' VAL . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.687 ' HA ' HG23 ' L' ' 24' ' ' VAL . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.701 HD12 HG21 ' L' ' 32' ' ' ILE . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' J' ' 34' ' ' LEU . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.89 HG22 HG12 ' L' ' 36' ' ' VAL . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.799 HG22 HG12 ' L' ' 39' ' ' VAL . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.595 HG23 HG13 ' L' ' 40' ' ' VAL . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.969 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.755 0.312 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.847 HD12 ' HE1' ' C' ' 35' ' ' MET . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.407 HG12 ' O ' ' L' ' 20' ' ' PHE . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' O ' HG12 ' L' ' 18' ' ' VAL . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' K' ' 24' ' ' VAL . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.701 HG21 HD12 ' K' ' 32' ' ' ILE . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' M' ' 34' ' ' LEU . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.722 ' HG3' HD11 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.89 HG12 HG22 ' K' ' 36' ' ' VAL . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.849 HG22 HG12 ' M' ' 39' ' ' VAL . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' M' ' 40' ' ' VAL . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.647 ' HB2' HD12 ' M' ' 32' ' ' ILE . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' N' ' 21' ' ' ALA . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' N' ' 31' ' ' ILE . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' M' ' 19' ' ' PHE . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' L' ' 34' ' ' LEU . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.529 ' SD ' HD11 ' D' ' 34' ' ' LEU . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.678 HG22 HG12 ' N' ' 36' ' ' VAL . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.849 HG12 HG22 ' L' ' 39' ' ' VAL . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.445 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.755 0.312 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.641 HG13 HG23 ' O' ' 18' ' ' VAL . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' M' ' 21' ' ' ALA . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.507 ' O ' ' HB1' ' M' ' 21' ' ' ALA . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.691 HD13 HG21 ' M' ' 39' ' ' VAL . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.599 HD12 HG21 ' O' ' 32' ' ' ILE . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.599 HD12 HD22 ' M' ' 34' ' ' LEU . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.559 ' CG ' HD11 ' E' ' 34' ' ' LEU . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.78 HG22 HG12 ' O' ' 36' ' ' VAL . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.769 HG12 HG22 ' M' ' 39' ' ' VAL . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.426 HD11 HD11 ' O' ' 31' ' ' ILE . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.773 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.785 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.641 HG23 HG13 ' N' ' 18' ' ' VAL . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.426 HD11 HD11 ' N' ' 41' ' ' ILE . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.825 HD12 HG21 ' P' ' 32' ' ' ILE . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.531 HD12 HD22 ' N' ' 34' ' ' LEU . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.78 HG12 HG22 ' N' ' 36' ' ' VAL . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.721 HG13 HG23 ' P' ' 39' ' ' VAL . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.789 HG23 HG13 ' P' ' 40' ' ' VAL . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.402 HD11 HD11 ' P' ' 31' ' ' ILE . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.777 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.65 0.262 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' Q' ' 18' ' ' VAL . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' P' ' 32' ' ' ILE . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.412 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.693 HD12 HG21 ' O' ' 39' ' ' VAL . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.825 HG21 HD12 ' O' ' 32' ' ' ILE . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.474 ' HB3' HD23 ' G' ' 34' ' ' LEU . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.447 ' SD ' HD11 ' F' ' 34' ' ' LEU . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.709 ' CG1' HG12 ' Q' ' 36' ' ' VAL . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' O' ' 39' ' ' VAL . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.789 HG13 HG23 ' O' ' 40' ' ' VAL . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' Q' ' 29' ' ' GLY . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.777 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.651 ' HB ' HG12 ' R' ' 18' ' ' VAL . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.534 ' CD1' HG21 ' R' ' 32' ' ' ILE . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.412 HG11 ' HE1' ' P' ' 20' ' ' PHE . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . 0.438 ' HG2' HD11 ' Q' ' 41' ' ' ILE . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' P' ' 41' ' ' ILE . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.564 HD13 ' CG2' ' P' ' 31' ' ' ILE . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.554 HD12 HG21 ' R' ' 32' ' ' ILE . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . 0.534 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.77 HD21 ' HG3' ' H' ' 35' ' ' MET . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.545 ' HE1' HD23 ' G' ' 17' ' ' LEU . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.709 HG12 ' CG1' ' P' ' 36' ' ' VAL . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.928 HG22 HG12 ' R' ' 39' ' ' VAL . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' R' ' 40' ' ' VAL . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.729 HD12 ' N ' ' Q' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.729 ' N ' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.799 0.333 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.651 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.711 ' CD2' HD13 ' R' ' 32' ' ' ILE . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.41 HD12 ' N ' ' R' ' 32' ' ' ILE . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.711 HD13 ' CD2' ' R' ' 19' ' ' PHE . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.659 HD12 ' HG ' ' Q' ' 34' ' ' LEU . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.694 ' CE ' HD23 ' I' ' 17' ' ' LEU . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' Q' ' 36' ' ' VAL . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.928 HG12 HG22 ' Q' ' 39' ' ' VAL . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' Q' ' 40' ' ' VAL . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' K' ' 35' ' ' MET . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' HG12 ' B' ' 18' ' ' VAL . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.572 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 30' ' ' ALA . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD12 HG21 ' B' ' 32' ' ' ILE . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HG ' ' B' ' 34' ' ' LEU . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 36' ' ' VAL . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' B' ' 39' ' ' VAL . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 40' ' ' VAL . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.768 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.853 HD11 HD11 ' B' ' 32' ' ' ILE . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' C' ' 18' ' ' VAL . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' C' ' 24' ' ' VAL . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.4 HG13 HG11 ' B' ' 39' ' ' VAL . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.853 HD11 HD11 ' B' ' 17' ' ' LEU . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.594 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 36' ' ' VAL . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 39' ' ' VAL . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.455 ' HB ' HD13 ' C' ' 41' ' ' ILE . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.768 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.71 HD13 HD23 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' B' ' 18' ' ' VAL . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' C' ' 20' ' ' PHE . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.669 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' D' ' 31' ' ' ILE . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.437 HG23 ' O ' ' C' ' 32' ' ' ILE . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 1.028 HD22 HD12 ' D' ' 34' ' ' LEU . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.506 ' HB2' HD21 ' L' ' 34' ' ' LEU . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' D' ' 36' ' ' VAL . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 39' ' ' VAL . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.574 HG23 HG13 ' D' ' 40' ' ' VAL . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.584 HG23 ' CG1' ' D' ' 41' ' ' ILE . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.749 0.309 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' M' ' 35' ' ' MET . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.677 HG23 HG13 ' C' ' 18' ' ' VAL . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.542 HG13 ' HB ' ' E' ' 24' ' ' VAL . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' C' ' 31' ' ' ILE . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.427 HG21 HD12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 1.028 HD12 HD22 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.875 ' HE2' HD21 ' M' ' 34' ' ' LEU . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' C' ' 36' ' ' VAL . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.784 HG13 HG23 ' E' ' 39' ' ' VAL . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 40' ' ' VAL . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' E' ' 41' ' ' ILE . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 1.036 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' E' ' 18' ' ' VAL . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.596 HG13 HG13 ' D' ' 18' ' ' VAL . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' F' ' 21' ' ' ALA . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.699 ' CD1' HG11 ' D' ' 39' ' ' VAL . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.799 HD23 HD23 ' D' ' 34' ' ' LEU . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.592 ' SD ' HD23 ' N' ' 17' ' ' LEU . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.672 HG23 HG13 ' F' ' 36' ' ' VAL . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.784 HG23 HG13 ' D' ' 39' ' ' VAL . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 40' ' ' VAL . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' D' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 1.019 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.677 HG12 HG22 ' G' ' 18' ' ' VAL . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.722 ' ND2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG11 ' F' ' 39' ' ' VAL . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.47 ' HA ' HG23 ' G' ' 32' ' ' ILE . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.453 ' HE1' HD23 ' O' ' 17' ' ' LEU . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.672 HG13 HG23 ' E' ' 36' ' ' VAL . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.759 HG11 HG21 ' F' ' 31' ' ' ILE . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.846 HG12 HG22 ' G' ' 40' ' ' VAL . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.748 HD12 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.748 ' OXT' HD12 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.677 HG22 HG12 ' F' ' 18' ' ' VAL . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' G' ' 20' ' ' PHE . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.57 HG13 HD11 ' G' ' 41' ' ' ILE . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.639 HD12 HG21 ' H' ' 32' ' ' ILE . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.67 ' CE ' HD11 ' O' ' 34' ' ' LEU . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.626 ' H ' HG22 ' H' ' 36' ' ' VAL . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.65 HG23 HG23 ' H' ' 39' ' ' VAL . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.846 HG22 HG12 ' F' ' 40' ' ' VAL . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.74 HG23 HD11 ' F' ' 41' ' ' ILE . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.5 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.688 HD12 HD11 ' H' ' 32' ' ' ILE . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.755 ' HB2' HD12 ' H' ' 32' ' ' ILE . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.514 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.687 HD11 HD12 ' G' ' 41' ' ' ILE . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' H' ' 19' ' ' PHE . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' Q' ' 34' ' ' LEU . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.498 ' SD ' HD11 ' P' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' G' ' 36' ' ' VAL . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' I' ' 39' ' ' VAL . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.695 ' CG1' HG12 ' G' ' 40' ' ' VAL . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' I' ' 41' ' ' ILE . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.474 ' OXT' HD12 ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' H' ' 17' ' ' LEU . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.408 ' O ' HG13 ' I' ' 18' ' ' VAL . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.713 HG21 HG11 ' I' ' 39' ' ' VAL . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.54 ' H ' HD23 ' H' ' 34' ' ' LEU . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.434 HG23 ' O ' ' H' ' 36' ' ' VAL . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' H' ' 39' ' ' VAL . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' H' ' 40' ' ' VAL . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.664 HG22 ' CG1' ' H' ' 41' ' ' ILE . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.741 0.305 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.499 ' C ' HD13 ' J' ' 17' ' ' LEU . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.511 ' CG2' HG22 ' K' ' 18' ' ' VAL . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.65 ' HB ' HG23 ' K' ' 31' ' ' ILE . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.479 HD13 HD23 ' K' ' 34' ' ' LEU . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' K' ' 39' ' ' VAL . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.493 HG23 HG13 ' K' ' 40' ' ' VAL . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' J' ' 31' ' ' ILE . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.933 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' K' ' 18' ' ' VAL . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.446 HD13 HD23 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.599 HG23 ' HD3' ' K' ' 16' ' ' LYS . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.634 HG13 ' CG1' ' L' ' 24' ' ' VAL . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' L' ' 30' ' ' ALA . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.65 HG23 ' HB ' ' J' ' 31' ' ' ILE . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' L' ' 32' ' ' ILE . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.686 HD12 HD22 ' L' ' 34' ' ' LEU . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.501 ' HE1' HD22 ' A' ' 17' ' ' LEU . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.69 ' CG2' HG12 ' L' ' 36' ' ' VAL . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' L' ' 39' ' ' VAL . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' L' ' 40' ' ' VAL . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.667 HG13 HD11 ' L' ' 31' ' ' ILE . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.933 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.779 0.323 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' M' ' 17' ' ' LEU . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' M' ' 18' ' ' VAL . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' M' ' 24' ' ' VAL . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.562 ' HB1' ' OE2' ' L' ' 22' ' ' GLU . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . 0.562 ' OE2' ' HB1' ' L' ' 21' ' ' ALA . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.706 HG23 ' CG1' ' M' ' 24' ' ' VAL . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.667 HD11 HG13 ' K' ' 41' ' ' ILE . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' K' ' 32' ' ' ILE . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.686 HD22 HD12 ' K' ' 34' ' ' LEU . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.707 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' M' ' 36' ' ' VAL . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' M' ' 39' ' ' VAL . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' K' ' 40' ' ' VAL . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.495 HD11 HG13 ' L' ' 31' ' ' ILE . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.605 HD13 ' CE ' ' D' ' 35' ' ' MET . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' N' ' 18' ' ' VAL . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.4 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' N' ' 21' ' ' ALA . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.706 ' CG1' HG23 ' L' ' 24' ' ' VAL . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.421 ' HA2' HG21 ' L' ' 41' ' ' ILE . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.81 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.48 ' O ' HG13 ' M' ' 36' ' ' VAL . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.875 HD21 ' HE2' ' D' ' 35' ' ' MET . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.568 ' SD ' HD12 ' D' ' 17' ' ' LEU . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' L' ' 36' ' ' VAL . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' L' ' 39' ' ' VAL . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.788 HD12 HD11 ' N' ' 31' ' ' ILE . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.889 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.642 HG13 HG23 ' O' ' 18' ' ' VAL . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' M' ' 21' ' ' ALA . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.64 ' CG1' HG23 ' M' ' 24' ' ' VAL . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.473 HD21 ' HB2' ' N' ' 30' ' ' ALA . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.473 ' HB2' HD21 ' N' ' 27' ' ' ASN . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.788 HD11 HD12 ' M' ' 41' ' ' ILE . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.81 HG21 HD12 ' M' ' 32' ' ' ILE . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.513 HD23 HD23 ' M' ' 34' ' ' LEU . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' O' ' 36' ' ' VAL . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.863 HG23 HG23 ' M' ' 39' ' ' VAL . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.543 HD13 ' HA2' ' O' ' 29' ' ' GLY . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.916 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.324 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' P' ' 18' ' ' VAL . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . 0.647 ' HE2' HG21 ' P' ' 24' ' ' VAL . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' N' ' 21' ' ' ALA . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' O' ' 30' ' ' ALA . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' N' ' 41' ' ' ILE . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' OD1' ' O' ' 27' ' ' ASN . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.784 HG21 HD12 ' N' ' 32' ' ' ILE . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 35' ' ' MET . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' F' ' 17' ' ' LEU . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.748 HG22 HG12 ' P' ' 36' ' ' VAL . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.811 HG22 HG12 ' P' ' 39' ' ' VAL . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.714 HG23 HG13 ' P' ' 40' ' ' VAL . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.524 HG12 HD12 ' N' ' 41' ' ' ILE . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 1.298 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.743 0.306 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' O' ' 18' ' ' VAL . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' O' ' 21' ' ' ALA . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.472 ' OE1' ' HB1' ' P' ' 21' ' ' ALA . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.647 HG21 ' HE2' ' O' ' 20' ' ' PHE . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.773 HG21 HD12 ' O' ' 32' ' ' ILE . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.651 ' O ' HG13 ' P' ' 36' ' ' VAL . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.498 HD11 ' SD ' ' H' ' 35' ' ' MET . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.48 ' SD ' HD23 ' F' ' 17' ' ' LEU . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.748 HG12 HG22 ' O' ' 36' ' ' VAL . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.817 HG22 HG12 ' Q' ' 39' ' ' VAL . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.714 HG13 HG23 ' O' ' 40' ' ' VAL . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 1.298 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.43 ' HG ' ' HE1' ' H' ' 35' ' ' MET . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.555 ' HB ' HG12 ' R' ' 18' ' ' VAL . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' R' ' 24' ' ' VAL . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' P' ' 21' ' ' ALA . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' R' ' 24' ' ' VAL . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . 0.557 ' ND2' ' HB2' ' Q' ' 30' ' ' ALA . 0.5 OUTLIER -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.557 ' HB2' ' ND2' ' Q' ' 27' ' ' ASN . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.639 HG21 HD12 ' P' ' 32' ' ' ILE . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . 0.605 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.741 ' HB3' HD13 ' H' ' 34' ' ' LEU . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.464 ' HG3' HD11 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' P' ' 36' ' ' VAL . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.878 HG22 HG12 ' R' ' 39' ' ' VAL . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.701 HG23 HG13 ' R' ' 40' ' ' VAL . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.626 HG22 HG22 ' R' ' 41' ' ' ILE . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.824 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.555 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' R' ' 32' ' ' ILE . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.646 HG21 ' HE1' ' Q' ' 20' ' ' PHE . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' R' ' 19' ' ' PHE . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.402 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.541 ' SD ' HD23 ' H' ' 17' ' ' LEU . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.878 HG12 HG22 ' Q' ' 39' ' ' VAL . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.701 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.686 HD12 ' OXT' ' R' ' 42' ' ' ALA . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.824 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 19' ' ' PHE . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.74 HD23 HD13 ' B' ' 34' ' ' LEU . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' HG13 ' B' ' 36' ' ' VAL . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.611 HG23 ' CG2' ' B' ' 40' ' ' VAL . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.51 HG13 HG22 ' B' ' 41' ' ' ILE . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.595 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' C' ' 18' ' ' VAL . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.714 ' HA3' HD13 ' B' ' 41' ' ' ILE . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.895 HG21 HG11 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 34' ' ' LEU . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.522 ' HE1' HD11 ' K' ' 34' ' ' LEU . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.732 HG21 HD11 ' B' ' 31' ' ' ILE . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.895 HG11 HG21 ' B' ' 31' ' ' ILE . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.928 HG12 HG22 ' C' ' 40' ' ' VAL . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.714 HD13 ' HA3' ' B' ' 29' ' ' GLY . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.741 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' B' ' 18' ' ' VAL . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.832 HG21 HG21 ' C' ' 39' ' ' VAL . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.572 HG23 HG23 ' D' ' 32' ' ' ILE . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 1.035 HD23 HD12 ' D' ' 34' ' ' LEU . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' D' ' 36' ' ' VAL . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.832 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.928 HG22 HG12 ' B' ' 40' ' ' VAL . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.528 HD12 ' OXT' ' C' ' 42' ' ' ALA . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.629 ' CG2' HG22 ' E' ' 18' ' ' VAL . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.553 HG13 ' HB ' ' E' ' 24' ' ' VAL . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.697 HG21 HD12 ' E' ' 31' ' ' ILE . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.643 HD12 HG21 ' E' ' 32' ' ' ILE . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 1.035 HD12 HD23 ' C' ' 34' ' ' LEU . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' C' ' 36' ' ' VAL . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' E' ' 31' ' ' ILE . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG12 ' C' ' 40' ' ' VAL . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' D' ' 31' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.537 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.629 HG22 ' CG2' ' D' ' 18' ' ' VAL . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.496 ' HD2' HD12 ' E' ' 32' ' ' ILE . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.478 ' HE2' HG23 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.553 ' HB ' HG13 ' D' ' 24' ' ' VAL . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.808 HG21 HD12 ' F' ' 31' ' ' ILE . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.643 HG21 HD12 ' D' ' 32' ' ' ILE . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.836 HD22 HD12 ' F' ' 34' ' ' LEU . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.627 HG12 HG12 ' D' ' 36' ' ' VAL . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.724 HG11 HG21 ' E' ' 31' ' ' ILE . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.707 HG21 ' HA2' ' F' ' 29' ' ' GLY . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' G' ' 18' ' ' VAL . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' G' ' 24' ' ' VAL . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.707 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.808 HD12 HG21 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.846 HD22 HD12 ' G' ' 34' ' ' LEU . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 36' ' ' VAL . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.805 HG21 HG21 ' F' ' 31' ' ' ILE . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.663 ' C ' HD13 ' F' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' F' ' 18' ' ' VAL . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.676 ' HB ' HG13 ' F' ' 24' ' ' VAL . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.793 HG21 HG11 ' G' ' 39' ' ' VAL . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.631 HG21 HD12 ' F' ' 32' ' ' ILE . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.846 HD12 HD22 ' F' ' 34' ' ' LEU . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.512 ' SD ' HD11 ' O' ' 34' ' ' LEU . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.523 HG22 ' HB ' ' F' ' 36' ' ' VAL . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.793 HG11 HG21 ' G' ' 31' ' ' ILE . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' H' ' 40' ' ' VAL . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.629 ' HA ' HG23 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.667 ' OXT' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' I' ' 17' ' ' LEU . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.672 HG22 HG22 ' G' ' 18' ' ' VAL . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.49 ' HZ ' ' HB1' ' H' ' 30' ' ' ALA . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' I' ' 21' ' ' ALA . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.829 HG13 HG23 ' I' ' 24' ' ' VAL . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.536 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' HZ ' ' H' ' 19' ' ' PHE . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CG2' ' G' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.741 HD13 HG23 ' I' ' 32' ' ' ILE . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.621 ' N ' HD12 ' H' ' 32' ' ' ILE . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.931 HD22 HD12 ' I' ' 34' ' ' LEU . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.49 ' HB2' HD11 ' Q' ' 34' ' ' LEU . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.68 ' CG1' HG12 ' I' ' 36' ' ' VAL . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.698 HG12 ' HB ' ' G' ' 39' ' ' VAL . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.684 HG12 ' HB ' ' I' ' 40' ' ' VAL . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.521 HD13 ' N ' ' H' ' 42' ' ' ALA . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.667 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.441 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.427 ' H ' HD23 ' I' ' 17' ' ' LEU . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' I' ' 24' ' ' VAL . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' H' ' 21' ' ' ALA . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.829 HG23 HG13 ' H' ' 24' ' ' VAL . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.663 HD13 ' H ' ' I' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.741 HG23 HD13 ' H' ' 32' ' ' ILE . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.585 ' H ' HD12 ' I' ' 32' ' ' ILE . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.931 HD12 HD22 ' H' ' 34' ' ' LEU . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.615 ' SD ' HD11 ' R' ' 34' ' ' LEU . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.68 HG12 ' CG1' ' H' ' 36' ' ' VAL . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.665 HG23 HG23 ' H' ' 39' ' ' VAL . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.684 ' HB ' HG12 ' H' ' 40' ' ' VAL . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' H' ' 41' ' ' ILE . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.744 0.307 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' J' ' 32' ' ' ILE . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' J' ' 24' ' ' VAL . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.764 HG12 HG22 ' K' ' 24' ' ' VAL . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.455 HG21 HG13 ' J' ' 39' ' ' VAL . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' K' ' 32' ' ' ILE . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.455 HG13 HG21 ' J' ' 31' ' ' ILE . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.588 HG23 HG13 ' K' ' 40' ' ' VAL . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.747 0.308 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.764 HG22 HG12 ' J' ' 24' ' ' VAL . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.517 HD13 HG13 ' K' ' 39' ' ' VAL . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' J' ' 32' ' ' ILE . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' L' ' 34' ' ' LEU . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.684 HG22 HG12 ' L' ' 36' ' ' VAL . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.517 HG13 HD13 ' K' ' 31' ' ' ILE . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.588 HG13 HG23 ' J' ' 40' ' ' VAL . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 1.133 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.722 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' L' ' 21' ' ' ALA . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.649 ' HB2' HD12 ' L' ' 32' ' ' ILE . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG13 ' L' ' 18' ' ' VAL . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' K' ' 24' ' ' VAL . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HZ ' ' L' ' 19' ' ' PHE . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' L' ' 19' ' ' PHE . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' K' ' 34' ' ' LEU . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.618 ' HG3' HD21 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' M' ' 36' ' ' VAL . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.668 ' CG2' HG22 ' M' ' 39' ' ' VAL . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 ' CG1' ' M' ' 40' ' ' VAL . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 1.133 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' M' ' 21' ' ' ALA . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' M' ' 32' ' ' ILE . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.601 ' HB2' HG13 ' M' ' 18' ' ' VAL . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.638 HD21 ' HB2' ' M' ' 30' ' ' ALA . 6.9 t-20 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.476 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' M' ' 27' ' ' ASN . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' M' ' 19' ' ' PHE . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.656 HD12 HD22 ' L' ' 34' ' ' LEU . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.601 ' HG3' HD11 ' D' ' 34' ' ' LEU . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.937 HG22 HG12 ' N' ' 36' ' ' VAL . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.668 HG22 ' CG2' ' L' ' 39' ' ' VAL . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.647 ' CG1' HG12 ' L' ' 40' ' ' VAL . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA2' ' N' ' 29' ' ' GLY . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.575 ' HB3' ' C ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.73 HG13 ' HB2' ' N' ' 21' ' ' ALA . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' N' ' 18' ' ' VAL . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.75 HG23 ' HB ' ' O' ' 24' ' ' VAL . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.488 ' OD1' HG21 ' N' ' 24' ' ' VAL . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.47 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' N' ' 39' ' ' VAL . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.62 HG13 HG23 ' O' ' 32' ' ' ILE . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.75 ' HB3' HD13 ' E' ' 34' ' ' LEU . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.519 ' SD ' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.937 HG12 HG22 ' M' ' 36' ' ' VAL . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.565 ' HB ' HG12 ' O' ' 39' ' ' VAL . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.629 HG23 HG13 ' O' ' 40' ' ' VAL . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.622 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' O' ' 21' ' ' ALA . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.752 ' HB2' HG13 ' O' ' 18' ' ' VAL . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.75 ' HB ' HG23 ' N' ' 24' ' ' VAL . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.528 HD21 ' HB2' ' O' ' 30' ' ' ALA . 11.1 t-20 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' O' ' 27' ' ' ASN . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 34' ' ' LEU . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.432 ' HG3' HD11 ' F' ' 34' ' ' LEU . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.915 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.818 HG22 HG12 ' P' ' 39' ' ' VAL . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.629 HG13 HG23 ' N' ' 40' ' ' VAL . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.623 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.758 0.313 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' P' ' 21' ' ' ALA . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' P' ' 18' ' ' VAL . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.692 HG13 ' CG2' ' Q' ' 24' ' ' VAL . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.629 HD21 ' HB2' ' P' ' 30' ' ' ALA . 6.7 t-20 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' P' ' 27' ' ' ASN . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.633 ' CD1' HG21 ' O' ' 39' ' ' VAL . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.862 HD22 HD12 ' Q' ' 34' ' ' LEU . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.611 ' HG3' HD11 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.915 HG12 HG22 ' O' ' 36' ' ' VAL . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.818 HG12 HG22 ' O' ' 39' ' ' VAL . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.603 HG13 HG23 ' O' ' 40' ' ' VAL . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.623 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' Q' ' 21' ' ' ALA . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' R' ' 24' ' ' VAL . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.726 ' HB2' ' CG1' ' Q' ' 18' ' ' VAL . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . 0.692 ' CG2' HG13 ' P' ' 24' ' ' VAL . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . 0.419 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 8.8 t-20 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.43 HG13 HD11 ' Q' ' 41' ' ' ILE . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.522 HG21 HD12 ' P' ' 32' ' ' ILE . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.862 HD12 HD22 ' P' ' 34' ' ' LEU . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.57 ' HG3' HD11 ' H' ' 34' ' ' LEU . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.91 HG12 HG22 ' P' ' 36' ' ' VAL . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' R' ' 39' ' ' VAL . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.532 HG13 HG23 ' P' ' 40' ' ' VAL . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' R' ' 42' ' ' ALA . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.584 HD11 HD11 ' R' ' 32' ' ' ILE . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.58 ' CG1' ' HB2' ' R' ' 21' ' ' ALA . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . 0.477 ' HB3' HG11 ' R' ' 24' ' ' VAL . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . 0.58 ' HB2' ' CG1' ' R' ' 18' ' ' VAL . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' Q' ' 20' ' ' PHE . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . 0.73 ' HA3' HG23 ' R' ' 41' ' ' ILE . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.567 ' CD1' HG21 ' Q' ' 39' ' ' VAL . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.584 HD11 HD11 ' R' ' 17' ' ' LEU . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.777 ' HB3' HD13 ' I' ' 34' ' ' LEU . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.674 ' HB2' HD11 ' I' ' 34' ' ' LEU . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.821 HG22 HG22 ' Q' ' 36' ' ' VAL . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.462 ' HB ' HG23 ' Q' ' 40' ' ' VAL . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.73 HG23 ' HA3' ' R' ' 29' ' ' GLY . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.679 0.276 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 24' ' ' VAL . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 HG22 ' B' ' 24' ' ' VAL . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 HG13 ' B' ' 31' ' ' ILE . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' HG23 ' B' ' 32' ' ' ILE . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.655 ' O ' HD22 ' A' ' 34' ' ' LEU . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 33' ' ' GLY . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 36' ' ' VAL . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG22 HG12 ' B' ' 39' ' ' VAL . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 HG13 ' B' ' 40' ' ' VAL . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.627 HD13 ' HA3' ' A' ' 29' ' ' GLY . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.798 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.648 HD23 ' SD ' ' L' ' 35' ' ' MET . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.522 ' HZ ' ' HB1' ' B' ' 30' ' ' ALA . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 24' ' ' VAL . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.522 ' HB1' ' HZ ' ' B' ' 19' ' ' PHE . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.572 HD13 HG12 ' C' ' 31' ' ' ILE . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' C' ' 32' ' ' ILE . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.646 HD22 HD12 ' C' ' 34' ' ' LEU . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.609 ' CE ' HD23 ' K' ' 17' ' ' LEU . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.731 ' O ' HG23 ' C' ' 36' ' ' VAL . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.917 HG12 HG22 ' A' ' 39' ' ' VAL . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 40' ' ' VAL . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.631 HG22 HG22 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.924 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.672 ' HZ ' ' HB1' ' C' ' 30' ' ' ALA . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.482 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' B' ' 41' ' ' ILE . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' C' ' 19' ' ' PHE . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 39' ' ' VAL . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.626 HD12 ' N ' ' C' ' 33' ' ' GLY . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.692 ' O ' HG12 ' C' ' 36' ' ' VAL . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 HD22 ' B' ' 34' ' ' LEU . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.466 ' SD ' HD12 ' L' ' 17' ' ' LEU . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 36' ' ' VAL . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' D' ' 39' ' ' VAL . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 40' ' ' VAL . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.77 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.924 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.769 0.319 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.731 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.61 ' HZ ' ' HB1' ' D' ' 30' ' ' ALA . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.84 HG21 HG21 ' C' ' 39' ' ' VAL . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.731 HD11 HD11 ' D' ' 17' ' ' LEU . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.726 HD22 HD12 ' E' ' 34' ' ' LEU . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.493 ' CE ' HD23 ' M' ' 17' ' ' LEU . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 36' ' ' VAL . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' C' ' 39' ' ' VAL . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 40' ' ' VAL . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.611 HG23 HD11 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.77 ' HB2' HD13 ' E' ' 32' ' ' ILE . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.436 HG21 ' CZ ' ' E' ' 20' ' ' PHE . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' E' ' 19' ' ' PHE . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.778 HD12 HG21 ' D' ' 39' ' ' VAL . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' E' ' 19' ' ' PHE . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.726 HD12 HD22 ' D' ' 34' ' ' LEU . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.876 HG23 HG13 ' D' ' 36' ' ' VAL . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.461 ' HA ' HG13 ' D' ' 39' ' ' VAL . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 0.628 HG21 ' HA2' ' F' ' 29' ' ' GLY . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.81 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' F' ' 24' ' ' VAL . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.628 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' F' ' 19' ' ' PHE . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.765 HG21 HG11 ' F' ' 39' ' ' VAL . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' F' ' 19' ' ' PHE . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.453 ' HA3' HG22 ' F' ' 36' ' ' VAL . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.75 HD13 HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' G' ' 36' ' ' VAL . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.765 HG11 HG21 ' F' ' 31' ' ' ILE . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.418 ' O ' HG13 ' F' ' 40' ' ' VAL . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.963 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.748 0.308 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' H' ' 18' ' ' VAL . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.63 ' CE1' ' HB1' ' G' ' 30' ' ' ALA . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' G' ' 24' ' ' VAL . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' G' ' 20' ' ' PHE . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' G' ' 19' ' ' PHE . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' F' ' 31' ' ' ILE . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' F' ' 32' ' ' ILE . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.75 HD23 HD13 ' F' ' 34' ' ' LEU . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.491 ' HG3' HD22 ' P' ' 34' ' ' LEU . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.732 HG23 HG23 ' H' ' 36' ' ' VAL . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' G' ' 31' ' ' ILE . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' H' ' 42' ' ' ALA . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 0.963 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.829 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' I' ' 18' ' ' VAL . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' H' ' 32' ' ' ILE . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' H' ' 24' ' ' VAL . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.704 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.843 HD13 HG13 ' H' ' 39' ' ' VAL . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' H' ' 19' ' ' PHE . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.635 HD12 HD12 ' G' ' 34' ' ' LEU . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.747 ' CG1' HG12 ' I' ' 36' ' ' VAL . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.843 HG13 HD13 ' H' ' 31' ' ' ILE . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.571 HG21 ' HA2' ' I' ' 29' ' ' GLY . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.717 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' H' ' 18' ' ' VAL . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.515 ' HE2' ' HB1' ' I' ' 30' ' ' ALA . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.457 HG11 ' OD1' ' I' ' 27' ' ' ASN . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.457 ' OD1' HG11 ' I' ' 24' ' ' VAL . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.571 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' I' ' 19' ' ' PHE . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.726 HG21 HD12 ' H' ' 32' ' ' ILE . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.471 ' N ' HD13 ' I' ' 32' ' ' ILE . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' H' ' 34' ' ' LEU . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.747 HG12 ' CG1' ' H' ' 36' ' ' VAL . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.599 ' CG1' HD11 ' J' ' 41' ' ' ILE . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' J' ' 19' ' ' PHE . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.7 HG22 HG12 ' K' ' 36' ' ' VAL . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' K' ' 40' ' ' VAL . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.787 HG21 ' HA2' ' K' ' 29' ' ' GLY . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 1.042 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.754 0.311 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' B' ' 35' ' ' MET . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.711 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.423 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.521 HG13 ' CG2' ' L' ' 24' ' ' VAL . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' K' ' 39' ' ' VAL . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.409 ' HA ' HG23 ' L' ' 32' ' ' ILE . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' ' 34' ' ' LEU . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.7 HG12 HG22 ' J' ' 36' ' ' VAL . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' K' ' 31' ' ' ILE . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' J' ' 40' ' ' VAL . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.57 HD12 HD11 ' L' ' 31' ' ' ILE . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.721 0.296 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.658 HG12 ' CG1' ' M' ' 24' ' ' VAL . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.58 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.57 HD11 HD12 ' K' ' 41' ' ' ILE . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.653 HD12 HG21 ' M' ' 32' ' ' ILE . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.454 HD22 HD12 ' M' ' 34' ' ' LEU . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.648 ' SD ' HD23 ' B' ' 17' ' ' LEU . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.844 HG22 HG12 ' M' ' 36' ' ' VAL . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.503 HG23 HG13 ' M' ' 40' ' ' VAL . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.862 HD13 ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.602 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HG2' ' N' ' 22' ' ' GLU . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' L' ' 24' ' ' VAL . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.826 HD13 HG13 ' M' ' 39' ' ' VAL . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.653 HG21 HD12 ' L' ' 32' ' ' ILE . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.454 HD12 HD22 ' L' ' 34' ' ' LEU . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.497 ' HE1' ' HB2' ' D' ' 17' ' ' LEU . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' N' ' 36' ' ' VAL . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.826 HG13 HD13 ' M' ' 31' ' ' ILE . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.627 HG23 HG13 ' N' ' 40' ' ' VAL . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.521 HD11 HD12 ' M' ' 31' ' ' ILE . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 0.988 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' M' ' 17' ' ' LEU . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . 0.528 ' HG2' ' HB1' ' M' ' 21' ' ' ALA . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.648 ' HA ' HG13 ' O' ' 24' ' ' VAL . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.738 HD12 HG11 ' M' ' 39' ' ' VAL . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.507 HG23 HG13 ' M' ' 32' ' ' ILE . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' M' ' 34' ' ' LEU . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.655 ' CE ' HD23 ' D' ' 17' ' ' LEU . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.924 HG12 HG22 ' M' ' 36' ' ' VAL . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.635 HG12 HG12 ' O' ' 39' ' ' VAL . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.627 HG13 HG23 ' M' ' 40' ' ' VAL . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.527 HG21 ' HA2' ' O' ' 29' ' ' GLY . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.808 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.568 HG13 HG23 ' P' ' 18' ' ' VAL . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' O' ' 32' ' ' ILE . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . 0.41 ' HE2' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.505 ' HB3' ' N ' ' P' ' 22' ' ' GLU . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.648 HG13 ' HA ' ' N' ' 24' ' ' VAL . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.695 HD12 HG21 ' P' ' 32' ' ' ILE . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' N' ' 34' ' ' LEU . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' P' ' 36' ' ' VAL . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.729 HG22 HG12 ' P' ' 39' ' ' VAL . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.55 HG23 HG13 ' P' ' 40' ' ' VAL . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 0.737 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.73 0.3 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.698 ' CG1' HG12 ' Q' ' 18' ' ' VAL . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HB1' ' P' ' 30' ' ' ALA . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' O' ' 21' ' ' ALA . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.559 ' HB1' ' CZ ' ' P' ' 19' ' ' PHE . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.656 HD13 HG21 ' O' ' 39' ' ' VAL . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' Q' ' 32' ' ' ILE . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' G' ' 35' ' ' MET . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' O' ' 36' ' ' VAL . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.729 HG12 HG22 ' O' ' 39' ' ' VAL . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.555 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.737 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.757 0.313 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.698 HG12 ' CG1' ' P' ' 18' ' ' VAL . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . 0.568 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.667 HD13 ' CG2' ' P' ' 39' ' ' VAL . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' P' ' 32' ' ' ILE . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.773 ' HE1' HD23 ' G' ' 17' ' ' LEU . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.784 HG22 HG12 ' R' ' 36' ' ' VAL . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.859 HG21 HG21 ' R' ' 31' ' ' ILE . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.583 HG23 HG13 ' R' ' 40' ' ' VAL . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.78 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.506 HG23 HG23 ' Q' ' 18' ' ' VAL . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.859 HG21 HG21 ' Q' ' 39' ' ' VAL . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' I' ' 34' ' ' LEU . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . 0.525 ' CE ' HD23 ' H' ' 17' ' ' LEU . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.784 HG12 HG22 ' Q' ' 36' ' ' VAL . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.642 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.583 HG13 HG23 ' Q' ' 40' ' ' VAL . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.78 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 ' CG2' HG12 ' B' ' 18' ' ' VAL . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' HB3' HD13 ' A' ' 32' ' ' ILE . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.575 HD12 HG21 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.486 ' HB ' HG12 ' B' ' 39' ' ' VAL . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 HG23 ' B' ' 40' ' ' VAL . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG21 ' HA3' ' A' ' 29' ' ' GLY . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.108 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 1.046 HD11 HD11 ' B' ' 32' ' ' ILE . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.519 HG12 ' CG2' ' A' ' 18' ' ' VAL . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' B' ' 30' ' ' ALA . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.656 ' CE1' HG21 ' B' ' 24' ' ' VAL . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.656 HG21 ' CE1' ' B' ' 20' ' ' PHE . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.655 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' HE2' ' B' ' 19' ' ' PHE . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 31' ' ' ILE . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 1.046 HD11 HD11 ' B' ' 17' ' ' LEU . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.622 HD13 HD23 ' C' ' 34' ' ' LEU . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.439 ' HE3' HD23 ' K' ' 17' ' ' LEU . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 36' ' ' VAL . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' C' ' 39' ' ' VAL . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.679 ' O ' HD13 ' B' ' 41' ' ' ILE . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.679 HD13 ' O ' ' B' ' 40' ' ' VAL . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 1.108 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 25.6 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.734 0.302 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.669 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 32' ' ' ILE . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.661 ' CZ ' HG21 ' C' ' 24' ' ' VAL . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.888 HG22 HG12 ' D' ' 24' ' ' VAL . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.435 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.556 HD12 ' N ' ' C' ' 32' ' ' ILE . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.669 HD11 HD11 ' C' ' 17' ' ' LEU . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' D' ' 34' ' ' LEU . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.512 ' SD ' HD12 ' L' ' 17' ' ' LEU . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 36' ' ' VAL . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' B' ' 39' ' ' VAL . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.665 ' CG1' HG12 ' B' ' 40' ' ' VAL . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.438 HD13 ' HB ' ' B' ' 41' ' ' ILE . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . 0.708 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' E' ' 15' ' ' GLN . 0.0 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' D' ' 18' ' ' VAL . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' D' ' 16' ' ' LYS . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.79 ' CE2' HD11 ' D' ' 32' ' ' ILE . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG11 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.607 ' OE1' ' HB1' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' E' ' 24' ' ' VAL . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.548 ' HB1' ' HE2' ' D' ' 19' ' ' PHE . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.675 HG23 HG23 ' E' ' 31' ' ' ILE . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.79 HD11 ' CE2' ' D' ' 19' ' ' PHE . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' C' ' 34' ' ' LEU . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.448 ' HE2' HD12 ' M' ' 17' ' ' LEU . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.709 HG13 HG23 ' C' ' 36' ' ' VAL . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.668 HG11 HG21 ' D' ' 31' ' ' ILE . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' E' ' 40' ' ' VAL . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.44 HD12 HD11 ' E' ' 31' ' ' ILE . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.668 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' OE1' ' D' ' 22' ' ' GLU . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' D' ' 24' ' ' VAL . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.681 HD11 HG21 ' E' ' 41' ' ' ILE . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' E' ' 17' ' ' LEU . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.418 ' CB ' HD11 ' N' ' 34' ' ' LEU . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.661 HG13 HG23 ' F' ' 36' ' ' VAL . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' F' ' 39' ' ' VAL . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.796 HG23 HG13 ' F' ' 40' ' ' VAL . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ILE . . . . . 1.058 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' ALA . . . . . 1.058 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.657 ' HB3' HD22 ' E' ' 17' ' ' LEU . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.758 HG13 HG23 ' G' ' 18' ' ' VAL . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.492 ' OE1' ' HB1' ' G' ' 21' ' ' ALA . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.753 ' HB ' HG12 ' E' ' 24' ' ' VAL . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.52 ' CG1' HD13 ' E' ' 31' ' ' ILE . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.838 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' P' ' 35' ' ' MET . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.714 ' CE ' HD23 ' O' ' 17' ' ' LEU . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.912 HG13 HG23 ' G' ' 36' ' ' VAL . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' E' ' 39' ' ' VAL . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.796 HG13 HG23 ' E' ' 40' ' ' VAL . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.892 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.683 HD12 HD11 ' G' ' 32' ' ' ILE . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.758 HG23 HG13 ' F' ' 18' ' ' VAL . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' G' ' 24' ' ' VAL . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' OE1' ' F' ' 22' ' ' GLU . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.618 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' H' ' 24' ' ' VAL . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.472 ' HB2' HG11 ' G' ' 24' ' ' VAL . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.644 HG21 HD12 ' H' ' 31' ' ' ILE . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.838 HG21 HD12 ' F' ' 32' ' ' ILE . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' H' ' 34' ' ' LEU . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.912 HG23 HG13 ' F' ' 36' ' ' VAL . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.688 HG23 HG13 ' F' ' 39' ' ' VAL . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' H' ' 40' ' ' VAL . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 41' ' ' ILE . . . . . 1.018 HD13 ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 42' ' ' ALA . . . . . 1.018 ' O ' HD13 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HE1' ' Q' ' 35' ' ' MET . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.815 HD12 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.75 HG23 HG13 ' G' ' 18' ' ' VAL . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' G' ' 24' ' ' VAL . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.766 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.644 HD12 HG21 ' G' ' 31' ' ' ILE . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.815 HD11 HD12 ' H' ' 17' ' ' LEU . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' Q' ' 34' ' ' LEU . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.835 HG23 HG13 ' I' ' 36' ' ' VAL . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.622 HG22 ' CG1' ' G' ' 39' ' ' VAL . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 40' ' ' VAL . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 41' ' ' ILE . . . . . 0.519 HD11 HG22 ' H' ' 31' ' ' ILE . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.588 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.622 HG23 HG13 ' H' ' 18' ' ' VAL . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' I' ' 24' ' ' VAL . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' H' ' 24' ' ' VAL . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.452 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.601 HD12 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.835 HG13 HG23 ' H' ' 36' ' ' VAL . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.601 HG21 HD12 ' I' ' 31' ' ' ILE . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.484 ' HB ' HG12 ' H' ' 40' ' ' VAL . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 42' ' ' ALA . . . . . 0.452 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' J' ' 30' ' ' ALA . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.474 ' HB2' HG11 ' J' ' 24' ' ' VAL . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' J' ' 20' ' ' PHE . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' J' ' 41' ' ' ILE . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' J' ' 19' ' ' PHE . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.585 HG13 HG23 ' K' ' 32' ' ' ILE . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.476 ' H ' HG12 ' K' ' 36' ' ' VAL . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.634 ' CG2' HG22 ' K' ' 39' ' ' VAL . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.516 HG23 HG23 ' K' ' 40' ' ' VAL . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.819 HG21 ' HA2' ' K' ' 29' ' ' GLY . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.806 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.752 0.31 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.829 HD11 HD11 ' K' ' 32' ' ' ILE . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.819 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' K' ' 39' ' ' VAL . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.829 HD11 HD11 ' K' ' 17' ' ' LEU . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.476 HG12 ' H ' ' J' ' 36' ' ' VAL . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.686 ' CG1' HD13 ' K' ' 31' ' ' ILE . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.695 HG12 HG22 ' L' ' 40' ' ' VAL . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 41' ' ' ILE . . . . . 0.478 HD11 HD12 ' K' ' 31' ' ' ILE . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 42' ' ' ALA . . . . . 0.806 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' HB1' ' L' ' 30' ' ' ALA . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' K' ' 41' ' ' ILE . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.69 ' HB1' ' CZ ' ' L' ' 19' ' ' PHE . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.527 HD13 ' HB ' ' L' ' 39' ' ' VAL . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.571 HG21 HD12 ' K' ' 32' ' ' ILE . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.719 HG22 HG12 ' M' ' 36' ' ' VAL . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.757 HG22 HG12 ' M' ' 39' ' ' VAL . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.695 HG22 HG12 ' K' ' 40' ' ' VAL . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.725 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.695 0.283 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.544 ' CG1' HG13 ' N' ' 18' ' ' VAL . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.597 ' CE2' ' HB1' ' M' ' 30' ' ' ALA . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.572 HD13 ' HB ' ' M' ' 39' ' ' VAL . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.456 HD12 HG21 ' N' ' 32' ' ' ILE . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' N' ' 34' ' ' LEU . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.719 HG12 HG22 ' L' ' 36' ' ' VAL . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.853 HG22 HG12 ' N' ' 39' ' ' VAL . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.666 ' CG1' HG12 ' L' ' 40' ' ' VAL . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 41' ' ' ILE . . . . . 0.469 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 42' ' ' ALA . . . . . 1.163 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.734 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.544 HG13 ' CG1' ' M' ' 18' ' ' VAL . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.713 ' CZ ' ' HB1' ' N' ' 30' ' ' ALA . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' N' ' 24' ' ' VAL . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' N' ' 20' ' ' PHE . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.713 ' HB1' ' CZ ' ' N' ' 19' ' ' PHE . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.707 HD12 HG21 ' O' ' 32' ' ' ILE . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' M' ' 34' ' ' LEU . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.433 ' HB2' HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' O' ' 36' ' ' VAL . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.853 HG12 HG22 ' M' ' 39' ' ' VAL . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.642 HG12 ' CG1' ' O' ' 40' ' ' VAL . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.592 HD12 HG12 ' O' ' 41' ' ' ILE . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 1.163 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.675 0.274 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.408 ' HB ' HG12 ' P' ' 18' ' ' VAL . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' P' ' 24' ' ' VAL . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' O' ' 30' ' ' ALA . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' O' ' 19' ' ' PHE . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.406 HD13 HG21 ' N' ' 39' ' ' VAL . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.552 HD12 HD22 ' N' ' 34' ' ' LEU . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.427 ' HE1' HD23 ' F' ' 17' ' ' LEU . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' N' ' 36' ' ' VAL . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.762 HG12 HG22 ' N' ' 39' ' ' VAL . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.838 HG23 HG13 ' P' ' 40' ' ' VAL . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 41' ' ' ILE . . . . . 0.592 HG12 HD12 ' N' ' 41' ' ' ILE . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 42' ' ' ALA . . . . . 1.052 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.74 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' Q' ' 18' ' ' VAL . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.561 ' CG2' HG13 ' O' ' 24' ' ' VAL . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' P' ' 30' ' ' ALA . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.506 ' HA3' HG21 ' P' ' 41' ' ' ILE . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' P' ' 27' ' ' ASN . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.676 ' CG1' HD11 ' P' ' 41' ' ' ILE . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.487 ' HB2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.948 HG22 HG12 ' Q' ' 36' ' ' VAL . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.742 HG23 HG23 ' O' ' 39' ' ' VAL . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.838 HG13 HG23 ' O' ' 40' ' ' VAL . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . 0.676 HD11 ' CG1' ' P' ' 31' ' ' ILE . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 1.052 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.693 0.282 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 17' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' P' ' 18' ' ' VAL . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 19' ' ' PHE . . . . . 0.528 ' HE2' ' HB1' ' Q' ' 30' ' ' ALA . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 30' ' ' ALA . . . . . 0.528 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 31' ' ' ILE . . . . . 0.599 ' HB ' HG22 ' R' ' 31' ' ' ILE . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . 0.463 HD11 HD12 ' Q' ' 17' ' ' LEU . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 34' ' ' LEU . . . . . 0.489 HD13 HD23 ' R' ' 34' ' ' LEU . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 35' ' ' MET . . . . . 0.474 ' HE1' ' HB3' ' H' ' 15' ' ' GLN . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 36' ' ' VAL . . . . . 0.948 HG12 HG22 ' P' ' 36' ' ' VAL . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG1' ' P' ' 39' ' ' VAL . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 40' ' ' VAL . . . . . 0.489 HG23 HG13 ' R' ' 40' ' ' VAL . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 41' ' ' ILE . . . . . 0.912 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 42' ' ' ALA . . . . . 0.912 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 17' ' ' LEU . . . . . 0.767 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 18' ' ' VAL . . . . . 0.675 HG12 ' CG2' ' Q' ' 18' ' ' VAL . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 19' ' ' PHE . . . . . 0.519 ' HE1' ' HB1' ' R' ' 30' ' ' ALA . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 20' ' ' PHE . . . . . 0.526 ' HB3' HG21 ' R' ' 24' ' ' VAL . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 24' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' R' ' 20' ' ' PHE . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HE1' ' R' ' 19' ' ' PHE . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 31' ' ' ILE . . . . . 0.759 HD13 HG11 ' R' ' 39' ' ' VAL . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . 0.44 HD13 ' N ' ' R' ' 33' ' ' GLY . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' R' R ' 33' ' ' GLY . . . . . 0.548 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 34' ' ' LEU . . . . . 0.489 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 36' ' ' VAL . . . . . 0.639 HG12 ' CG2' ' Q' ' 36' ' ' VAL . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' R' R ' 39' ' ' VAL . . . . . 0.759 HG11 HD13 ' R' ' 31' ' ' ILE . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 40' ' ' VAL . . . . . 0.489 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 41' ' ' ILE . . . . . 0.669 HG22 ' CG1' ' Q' ' 41' ' ' ILE . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' R' R ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.54 140.43 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -90.78 134.21 34.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -120.03 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -116.4 134.33 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.4 129.47 27.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -137.69 125.27 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG23 HG12 ' B' ' 18' ' ' VAL . 3.8 m -154.41 168.49 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HD13 ' A' ' 32' ' ' ILE . 13.7 p90 -124.44 -173.63 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 31.0 p90 -43.31 130.24 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.65 96.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -169.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.96 91.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' B' ' 24' ' ' VAL . 9.4 p -99.71 152.48 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.82 -63.01 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.0 95.73 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.505 ' HB2' HG21 ' A' ' 24' ' ' VAL . 2.1 t30 -110.52 118.17 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -132.62 113.39 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.01 94.51 1.58 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB1' ' HE2' ' A' ' 20' ' ' PHE . . . -150.94 137.25 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG2' HD12 ' B' ' 31' ' ' ILE . 9.7 tp -159.67 149.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' B' ' 32' ' ' ILE . 2.7 mp -135.3 125.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.29 123.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.2 mm? -68.49 -35.51 77.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD22 ' J' ' 17' ' ' LEU . 1.4 mtt -135.35 93.92 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.03 141.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.33 169.97 15.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.94 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.531 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.946 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -139.3 126.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' B' ' 40' ' ' VAL . 4.4 p -128.85 132.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.5 mt -117.59 143.12 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.05 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.73 123.65 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -119.5 -72.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -125.24 -42.12 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.3 115.55 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -121.19 100.67 7.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' C' ' 17' ' ' LEU . 0.2 OUTLIER -108.36 91.67 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 18' ' ' VAL . 17.2 m -120.69 145.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.676 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 2.6 t80 -141.23 108.11 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 64.44 38.0 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.71 73.11 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 -175.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.96 132.27 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 24' ' ' VAL . 18.9 t -133.02 147.99 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 -58.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.8 m -147.01 102.54 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.54 ' HB3' HG11 ' B' ' 24' ' ' VAL . 1.7 p-10 -115.38 130.52 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -126.53 110.79 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.6 97.24 1.09 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -138.15 92.24 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.946 HD13 HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.53 123.71 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.966 HG23 HG23 ' A' ' 32' ' ' ILE . 2.7 tt -123.11 120.09 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.97 129.03 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.528 HD23 ' CD1' ' A' ' 34' ' ' LEU . 3.8 mm? -59.94 -51.65 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.38 106.9 12.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' C' ' 36' ' ' VAL . 33.5 m -150.62 179.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.75 157.25 28.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.75 83.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.849 HG11 HG21 ' B' ' 31' ' ' ILE . 46.8 t -123.12 113.45 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.617 HG23 HG23 ' A' ' 40' ' ' VAL . 29.5 m -116.2 132.85 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.505 HG21 ' HA2' ' C' ' 29' ' ' GLY . 18.7 mt -120.89 131.0 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 1.05 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -136.42 140.19 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -107.96 155.92 19.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -112.15 -70.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.63 100.62 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.55 94.48 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.851 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -103.64 93.51 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 18' ' ' VAL . 18.5 m -121.08 119.93 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -120.29 114.22 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 64.07 27.79 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.47 68.12 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.33 179.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.32 140.99 58.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.08 150.35 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.75 -66.65 1.09 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.51 122.2 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.433 HD21 ' HB2' ' C' ' 30' ' ' ALA . 2.5 t30 -133.28 134.73 44.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -131.13 124.2 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.553 ' HA3' HG23 ' C' ' 41' ' ' ILE . . . 83.94 83.49 0.95 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.433 ' HB2' HD21 ' C' ' 27' ' ' ASN . . . -124.09 114.6 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.686 ' CG2' HD12 ' D' ' 31' ' ' ILE . 0.7 OUTLIER -133.48 121.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.851 HD11 HD11 ' C' ' 17' ' ' LEU . 1.2 tt -123.56 120.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.5 114.15 0.56 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.7 HD22 HD13 ' D' ' 34' ' ' LEU . 31.3 mt -50.62 -47.0 58.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.9 tpt -119.56 99.47 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.718 HG12 HG22 ' B' ' 36' ' ' VAL . 15.0 m -141.98 -171.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.49 157.05 21.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.8 84.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.9 HG11 HD13 ' D' ' 31' ' ' ILE . 7.7 p -134.14 130.6 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' D' ' 40' ' ' VAL . 79.5 t -120.38 116.41 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.841 HG21 ' HA2' ' D' ' 29' ' ' GLY . 95.4 mt -100.6 103.36 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.487 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.364 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.657 HG23 ' HA2' ' N' ' 38' ' ' GLY . 17.3 m -118.66 39.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -118.55 113.31 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 100.42 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.89 112.74 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 113.18 25.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -121.87 95.17 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.718 HG12 ' CG2' ' C' ' 18' ' ' VAL . 16.6 m -118.97 119.09 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -128.1 119.98 26.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.44 27.22 16.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 67.85 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.73 172.7 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.13 134.54 50.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.591 HG11 ' OD1' ' D' ' 27' ' ' ASN . 19.2 t -145.57 151.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.76 -80.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 144.86 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.591 ' OD1' HG11 ' D' ' 24' ' ' VAL . 48.0 m-80 -145.31 131.08 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -135.3 109.33 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.841 ' HA2' HG21 ' C' ' 41' ' ' ILE . . . 91.04 92.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.57 111.33 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.9 HD13 HG11 ' C' ' 39' ' ' VAL . 0.8 OUTLIER -131.87 130.01 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.831 HG21 HD12 ' C' ' 32' ' ' ILE . 1.4 tt -128.28 137.07 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.49 122.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.7 HD13 HD22 ' C' ' 34' ' ' LEU . 6.5 mp -50.89 -40.87 57.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' M' ' 17' ' ' LEU . 24.5 ptm -137.27 123.11 20.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' E' ' 36' ' ' VAL . 10.8 m -142.94 -171.39 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.04 110.88 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.57 92.74 0.83 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.787 HG13 HG23 ' E' ' 39' ' ' VAL . 4.3 p -140.76 128.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.706 HG12 HG22 ' E' ' 40' ' ' VAL . 27.3 m -123.5 133.34 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' C' ' 41' ' ' ILE . 22.6 mm -112.59 129.81 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.35 135.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -140.04 132.73 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -70.85 -68.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -104.4 106.05 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.25 123.12 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.83 HD11 HD11 ' E' ' 32' ' ' ILE . 0.8 OUTLIER -125.72 91.53 3.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' E' ' 21' ' ' ALA . 96.4 t -110.69 124.06 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.23 126.05 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.571 ' CD2' HG21 ' E' ' 24' ' ' VAL . 0.2 OUTLIER 50.82 31.85 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' E' ' 18' ' ' VAL . . . -91.81 73.06 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.53 ' O ' HG23 ' E' ' 24' ' ' VAL . 1.0 OUTLIER -179.33 168.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 122.65 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' E' ' 20' ' ' PHE . 92.0 t -131.79 144.45 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.47 -60.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 t -147.46 124.42 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -119.69 138.84 53.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -137.17 112.13 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.644 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 84.6 89.86 0.82 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.52 111.22 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.768 HD12 HD11 ' E' ' 41' ' ' ILE . 2.2 mp -125.71 121.2 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.83 HD11 HD11 ' E' ' 17' ' ' LEU . 1.5 tt -120.08 124.26 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.06 118.14 0.71 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -51.44 -44.63 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.56 ' SD ' HD23 ' N' ' 17' ' ' LEU . 0.0 OUTLIER -122.82 85.44 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.984 HG12 HG22 ' D' ' 36' ' ' VAL . 7.4 m -109.67 167.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.73 8.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.6 78.52 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.787 HG23 HG13 ' D' ' 39' ' ' VAL . 6.5 p -124.54 136.65 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.706 HG22 HG12 ' D' ' 40' ' ' VAL . 19.5 m -135.17 134.74 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.768 HD11 HD12 ' E' ' 31' ' ' ILE . 60.5 mt -119.0 127.3 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.486 ' OXT' ' HE2' ' F' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -148.22 149.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -75.0 71.91 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -132.63 165.53 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 118.46 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -119.85 126.11 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.555 HD12 ' SD ' ' O' ' 35' ' ' MET . 0.5 OUTLIER -123.95 123.91 41.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -131.76 134.69 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -140.36 113.15 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 58.76 74.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.53 63.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.717 ' O ' HG23 ' F' ' 24' ' ' VAL . 0.0 OUTLIER -172.51 177.41 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -52.47 108.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.717 HG23 ' O ' ' F' ' 22' ' ' GLU . 78.5 t -115.86 139.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 -72.34 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -130.68 113.04 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -115.41 128.57 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.486 ' HE2' ' OXT' ' E' ' 42' ' ' ALA . 0.1 OUTLIER -131.79 122.96 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.477 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 79.43 85.06 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.26 120.62 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG21 ' F' ' 39' ' ' VAL . 0.9 OUTLIER -139.25 132.99 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' G' ' 32' ' ' ILE . 1.8 tt -128.7 116.73 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.18 109.11 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.94 -34.98 44.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.345 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.407 ' HG3' HD21 ' O' ' 34' ' ' LEU . 4.5 mmm -122.22 70.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.959 HG23 HG23 ' E' ' 36' ' ' VAL . 10.4 p -104.28 152.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.27 113.85 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.91 86.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.759 HG21 HG21 ' F' ' 31' ' ' ILE . 7.0 p -124.71 121.14 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.99 92.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.717 ' CD1' HD12 ' E' ' 41' ' ' ILE . 40.0 mm -86.66 95.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.598 ' OXT' ' HE3' ' G' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.902 0.382 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -125.28 -178.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.08 147.61 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -175.23 137.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -102.99 97.06 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.61 130.81 51.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.824 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -135.5 91.64 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 8.6 m -115.73 123.6 71.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -131.28 115.87 16.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.24 80.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.4 59.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.447 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -166.74 -176.12 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.58 124.65 20.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' G' ' 22' ' ' GLU . 84.6 t -133.93 137.05 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.66 -91.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.54 107.98 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.7 126.37 55.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.598 ' HE3' ' OXT' ' F' ' 42' ' ' ALA . 19.2 tptm -133.78 107.16 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.692 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 98.02 93.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.23 115.01 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' F' ' 31' ' ' ILE . 4.1 mp -134.89 124.47 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -123.01 134.7 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.65 127.68 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' Q' ' 35' ' ' MET . 4.3 mm? -56.5 -49.75 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.472 ' CB ' HD21 ' P' ' 34' ' ' LEU . 8.9 tpt -113.95 95.03 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.861 HG22 HG12 ' H' ' 36' ' ' VAL . 19.0 m -121.6 135.97 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.48 144.77 15.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.16 78.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.732 HG23 HG13 ' H' ' 39' ' ' VAL . 14.7 m -122.48 137.3 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -142.34 134.78 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.818 HD12 ' OXT' ' G' ' 42' ' ' ALA . 1.2 pp -126.2 147.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.818 ' OXT' HD12 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.401 HG13 ' O ' ' H' ' 12' ' ' VAL . 6.6 p -153.46 122.78 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -178.62 -173.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.08 157.04 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -115.1 112.24 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -108.46 95.0 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.824 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -96.0 104.71 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 6.5 p -131.66 123.78 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -130.13 127.54 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 51.94 79.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.94 56.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.528 ' O ' HG23 ' H' ' 24' ' ' VAL . 0.7 OUTLIER -163.41 171.43 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.93 125.2 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.649 HG11 ' OD1' ' H' ' 27' ' ' ASN . 21.7 t -133.37 145.59 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -64.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.93 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.649 ' OD1' HG11 ' H' ' 24' ' ' VAL . 5.6 m-80 -136.81 111.1 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -114.21 123.5 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.49 ' HA3' HG23 ' H' ' 41' ' ' ILE . . . 66.13 88.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.92 110.03 12.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.754 HG21 HD12 ' I' ' 31' ' ' ILE . 10.0 tt -124.92 134.84 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.815 HD12 HG21 ' I' ' 32' ' ' ILE . 1.4 tt -131.15 125.31 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.95 130.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' Q' ' 34' ' ' LEU . 57.7 mt -56.1 -56.83 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.637 ' HG3' HD11 ' Q' ' 34' ' ' LEU . 0.0 OUTLIER -98.7 107.18 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.861 HG12 HG22 ' G' ' 36' ' ' VAL . 30.7 m -134.15 128.98 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.11 138.07 11.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.732 HG13 HG23 ' G' ' 39' ' ' VAL . 49.5 t -124.54 119.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -110.19 92.03 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.502 HG21 ' HA2' ' I' ' 29' ' ' GLY . 40.7 mm -87.75 96.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.832 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.2 m -94.61 -176.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -112.44 -50.95 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -68.96 143.96 54.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.59 61.81 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -91.2 99.14 12.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.681 ' HB2' HD22 ' H' ' 17' ' ' LEU . 2.6 mm? -98.82 82.8 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.426 ' HA ' HG13 ' H' ' 18' ' ' VAL . 4.5 p -105.73 118.88 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD12 ' I' ' 32' ' ' ILE . 8.3 t80 -126.26 124.03 39.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 51.87 75.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.38 48.2 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.9 176.0 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -61.16 138.59 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 87.2 t -146.51 144.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -87.85 0.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 85.2 p -119.69 132.2 55.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -113.11 130.02 56.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -119.22 102.25 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.502 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.84 103.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.07 109.88 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' H' ' 31' ' ' ILE . 2.4 tt -121.13 120.74 63.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.815 HG21 HD12 ' H' ' 32' ' ' ILE . 14.2 tt -115.53 126.16 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.54 148.88 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.432 HD23 HD22 ' H' ' 34' ' ' LEU . 3.8 mm? -68.83 -66.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.5 tpt -85.59 109.27 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' H' ' 36' ' ' VAL . 27.7 m -132.43 133.71 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.4 145.85 16.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 60.18 8.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -112.32 123.7 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.375 . . . . 0.0 111.113 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p -126.87 123.81 63.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -108.24 141.73 22.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.832 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -114.77 176.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 60.5 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.93 -168.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -96.64 120.46 36.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -125.18 107.72 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 35' ' ' MET . 0.6 OUTLIER -106.1 102.24 11.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.15 120.7 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 17.9 t80 -87.87 -54.75 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -143.97 168.8 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -127.17 179.29 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 177.05 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 52.45 37.17 22.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' J' ' 27' ' ' ASN . 7.7 p -71.75 -35.51 55.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.42 -82.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -123.67 99.39 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' J' ' 24' ' ' VAL . 9.2 p-10 -102.45 89.44 3.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -106.31 120.58 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.78 80.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -130.73 122.74 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -140.87 133.15 30.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.424 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.2 tt -134.1 119.09 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.21 119.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.584 HD12 HD12 ' K' ' 34' ' ' LEU . 4.2 mm? -55.99 -35.81 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtp -148.94 119.86 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.05 145.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.79 13.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.25 95.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.632 HG11 HD12 ' K' ' 31' ' ' ILE . 21.3 t -136.35 121.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.625 HG23 HG13 ' K' ' 40' ' ' VAL . 6.5 p -128.14 130.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' K' ' 41' ' ' ILE . 10.9 tp -134.43 143.33 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 1.262 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.71 136.56 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -174.56 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -112.9 111.87 22.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.44 113.64 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -108.91 142.53 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.2 OUTLIER -143.37 82.66 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.626 HG13 HG23 ' L' ' 18' ' ' VAL . 8.6 p -102.28 133.93 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.682 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 58.6 t80 -102.0 -45.32 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . 0.513 ' HE2' HG13 ' K' ' 24' ' ' VAL . 0.2 OUTLIER -141.77 171.37 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' L' ' 22' ' ' GLU . . . -134.43 -179.85 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 10.8 pt-20 -61.46 176.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 52.16 51.2 16.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.513 HG13 ' HE2' ' K' ' 20' ' ' PHE . 54.8 t -75.1 -63.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 -101.05 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -110.8 94.39 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.52 119.55 39.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -133.0 90.17 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.653 ' HA3' HG21 ' K' ' 41' ' ' ILE . . . 106.96 96.73 2.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -147.94 104.75 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.915 HG21 HG11 ' K' ' 39' ' ' VAL . 8.4 tt -125.31 135.46 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' L' ' 32' ' ' ILE . 1.7 tt -130.45 127.92 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.44 119.06 0.86 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.617 ' CD2' HD23 ' L' ' 34' ' ' LEU . 56.3 mt -57.51 -44.89 85.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 45.9 tpp -133.8 83.11 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.09 154.12 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.7 153.13 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.08 100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.915 HG11 HG21 ' K' ' 31' ' ' ILE . 21.3 t -141.4 117.74 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.637 HG23 HG13 ' L' ' 40' ' ' VAL . 5.8 p -122.41 124.78 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.653 HG21 ' HA3' ' K' ' 29' ' ' GLY . 22.1 mt -122.02 137.74 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 1.262 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.918 0.389 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.503 HG21 HG11 ' M' ' 12' ' ' VAL . 34.4 m -119.71 137.89 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -137.16 136.67 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -146.46 156.24 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.92 116.06 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -123.35 122.46 38.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.627 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.4 OUTLIER -117.87 120.22 37.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.626 HG23 HG13 ' K' ' 18' ' ' VAL . 4.4 p -131.08 124.76 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.59 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 40.6 t80 -88.1 -37.71 16.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.47 175.09 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -131.37 -176.9 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . 0.449 ' N ' ' HB3' ' K' ' 21' ' ' ALA . 3.4 pt-20 -69.78 177.2 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 51.98 50.91 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.698 ' HA ' HG12 ' M' ' 24' ' ' VAL . 22.9 t -75.61 -69.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.36 -78.39 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.13 119.09 12.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -130.77 136.99 49.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -143.87 110.48 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.42 84.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -132.61 119.58 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.301 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.777 HG23 HG23 ' K' ' 31' ' ' ILE . 27.7 mt -133.2 128.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.791 HG21 HD12 ' K' ' 32' ' ' ILE . 2.8 tt -128.28 129.04 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.16 122.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.949 HD12 HD22 ' M' ' 34' ' ' LEU . 4.2 mm? -58.86 -44.1 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.468 ' CE ' HD23 ' B' ' 17' ' ' LEU . 1.5 tmm? -138.5 89.92 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.24 -172.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.22 121.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.04 85.57 1.35 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.457 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.822 HG22 HG12 ' M' ' 39' ' ' VAL . 17.3 m -133.58 137.28 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.645 HG23 HG13 ' M' ' 40' ' ' VAL . 5.6 p -136.76 129.51 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.47 132.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.792 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.612 HG23 ' H ' ' N' ' 12' ' ' VAL . 7.0 p -119.93 142.98 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -138.88 141.33 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -92.82 -70.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.11 122.65 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -138.07 111.48 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.9 OUTLIER -97.83 93.8 6.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.436 ' HA ' HG13 ' L' ' 18' ' ' VAL . 46.2 t -101.43 122.71 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -91.59 -55.11 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -130.14 178.95 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.95 -178.98 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . 0.489 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 32.9 mt-10 -67.25 165.55 15.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 52.02 54.37 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' L' ' 24' ' ' VAL . 11.1 p -79.98 -34.16 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -93.57 1.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -128.99 120.1 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -128.83 123.61 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -127.77 121.56 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 90.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.4 111.35 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.19 113.35 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.659 HD12 HG21 ' N' ' 32' ' ' ILE . 2.3 tt -118.9 121.48 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.04 132.38 2.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.949 HD22 HD12 ' L' ' 34' ' ' LEU . 8.2 mp -59.69 -65.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.739 ' CE ' HD23 ' C' ' 17' ' ' LEU . 8.9 ttp -121.17 112.66 18.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.761 HG22 HG12 ' N' ' 36' ' ' VAL . 9.4 m -142.19 -171.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.09 105.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.57 81.11 1.42 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.822 HG12 HG22 ' L' ' 39' ' ' VAL . 17.8 m -129.86 134.97 62.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 111.126 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.645 HG13 HG23 ' L' ' 40' ' ' VAL . 5.9 p -135.89 134.14 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -123.53 133.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 1.001 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.612 ' H ' HG23 ' M' ' 12' ' ' VAL . 22.4 t -118.36 82.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -75.11 81.05 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -56.89 -74.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.63 101.71 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -118.79 113.81 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -112.38 99.27 7.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 33.9 t -109.14 121.37 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 39.2 t80 -87.19 -36.61 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.595 ' HE1' HG11 ' O' ' 24' ' ' VAL . 0.6 OUTLIER -147.72 163.98 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -119.39 -173.91 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.54 167.25 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.37 39.77 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.11 -51.76 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.49 -86.07 1.41 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.43 117.69 13.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -133.04 125.14 29.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -127.44 112.66 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.16 93.16 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.533 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -140.6 125.49 18.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.451 HG13 HD11 ' N' ' 41' ' ' ILE . 48.5 mt -135.97 130.27 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.659 HG21 HD12 ' M' ' 32' ' ' ILE . 2.4 tt -127.77 133.41 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.33 130.65 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.37 -54.56 13.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.499 ' HB3' HD21 ' D' ' 34' ' ' LEU . 2.8 tpt -123.01 72.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.761 HG12 HG22 ' M' ' 36' ' ' VAL . 33.1 m -116.07 -178.52 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.87 163.82 36.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . 0.657 ' HA2' HG23 ' D' ' 12' ' ' VAL . . . 51.94 76.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' O' ' 39' ' ' VAL . 18.9 m -123.82 134.51 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.779 HG23 HG13 ' O' ' 40' ' ' VAL . 5.2 p -137.76 136.13 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.451 HD11 HG13 ' N' ' 31' ' ' ILE . 59.3 mt -129.63 141.25 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 1.001 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 133.56 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -173.92 170.87 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -179.19 119.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -108.18 99.37 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -115.28 125.27 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.6 OUTLIER -134.39 124.35 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -132.62 130.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.612 ' HB2' HD12 ' O' ' 32' ' ' ILE . 70.0 t80 -93.47 -36.03 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . 0.61 ' CE2' HG13 ' O' ' 24' ' ' VAL . 0.4 OUTLIER -145.67 154.69 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.533 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -117.27 -175.0 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' HB1' ' N' ' 21' ' ' ALA . 2.0 mp0 -63.49 174.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 52.0 53.4 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.61 HG13 ' CE2' ' O' ' 20' ' ' PHE . 37.2 t -74.12 -69.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.08 -88.77 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.59 127.7 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -142.79 140.26 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -143.53 132.88 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.79 89.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.76 125.18 41.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.664 HG12 HD11 ' O' ' 41' ' ' ILE . 39.3 mm -132.16 115.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.612 HD12 ' HB2' ' O' ' 19' ' ' PHE . 13.8 tt -121.68 121.73 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.35 127.69 1.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' E' ' 35' ' ' MET . 91.8 mt -63.48 -54.01 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.82 ' HE1' HD23 ' E' ' 17' ' ' LEU . 3.2 mtp -121.66 90.66 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.604 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -132.36 -179.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.62 162.31 36.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 77.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.74 HG23 HG23 ' N' ' 39' ' ' VAL . 4.2 p -125.56 128.63 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.779 HG13 HG23 ' N' ' 40' ' ' VAL . 3.9 p -130.85 117.11 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.664 HD11 HG12 ' O' ' 31' ' ' ILE . 61.6 mt -111.89 135.13 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.907 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.04 118.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -135.27 148.4 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.52 166.27 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.39 112.8 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.24 142.16 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -142.8 103.55 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.623 HG13 HG23 ' Q' ' 18' ' ' VAL . 11.3 p -112.92 136.25 49.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' P' ' 32' ' ' ILE . 40.7 t80 -99.67 -59.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.542 ' CE1' HG21 ' Q' ' 24' ' ' VAL . 0.5 OUTLIER -125.61 152.3 45.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' Q' ' 22' ' ' GLU . . . -111.88 -179.14 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.23 171.96 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 56.75 51.98 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.692 ' HA ' HG22 ' Q' ' 24' ' ' VAL . 92.3 t -75.87 -73.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.0 -78.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.82 127.57 17.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -139.06 134.06 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -136.45 117.27 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.12 88.19 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.42 119.29 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.43 131.14 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.406 HD12 ' HD1' ' P' ' 19' ' ' PHE . 3.8 tt -131.91 127.17 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.23 121.36 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' G' ' 35' ' ' MET . 8.7 mp -54.91 -36.54 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HE1' ' Q' ' 35' ' ' MET . 5.5 ttt -138.76 97.33 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' Q' ' 36' ' ' VAL . 33.9 m -124.11 156.11 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.8 112.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.19 86.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.719 HG12 ' CG1' ' O' ' 39' ' ' VAL . 17.3 m -122.38 120.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.556 HG23 HG13 ' Q' ' 40' ' ' VAL . 5.1 p -129.03 120.51 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' Q' ' 41' ' ' ILE . 0.0 OUTLIER -119.54 142.5 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.819 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.946 0.403 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' R' ' 13' ' ' HIS . 14.9 p -120.97 148.37 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -71.77 -71.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -177.57 176.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.98 120.85 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -132.5 134.35 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -124.71 128.56 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.623 HG23 HG13 ' P' ' 18' ' ' VAL . 6.3 p -127.54 126.45 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 18.3 t80 -82.71 -55.43 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.65 150.41 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -97.72 -173.79 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . 0.533 ' N ' ' HB3' ' P' ' 21' ' ' ALA . 1.0 OUTLIER -71.13 162.14 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 63.22 58.79 1.36 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.692 HG22 ' HA ' ' P' ' 24' ' ' VAL . 31.9 m -88.34 -32.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.12 -111.26 3.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.23 104.84 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.47 123.84 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -124.02 135.8 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.67 99.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' Q' ' 19' ' ' PHE . . . -146.65 134.37 21.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' R' ' 31' ' ' ILE . 0.0 OUTLIER -143.57 143.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.67 HD12 HG21 ' R' ' 32' ' ' ILE . 2.9 tt -140.62 138.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' H' ' 34' ' ' LEU . 4.6 mm? -52.04 -36.19 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.52 ' SD ' HD11 ' G' ' 34' ' ' LEU . 13.2 ptm -143.99 110.9 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.881 HG23 HG23 ' P' ' 36' ' ' VAL . 7.5 p -132.64 145.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.24 112.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.8 76.17 1.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.464 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.604 HG11 HG21 ' Q' ' 31' ' ' ILE . 23.9 t -113.83 133.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.633 HG23 HG13 ' R' ' 40' ' ' VAL . 5.9 p -143.13 126.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.671 HG23 ' CG2' ' P' ' 41' ' ' ILE . 38.1 mt -121.8 132.95 69.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.819 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t 52.13 68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . 0.45 ' O ' HG23 ' Q' ' 12' ' ' VAL . 0.5 OUTLIER -170.77 159.43 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -52.95 150.53 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -119.34 103.5 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -136.29 98.14 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' R' ' 18' ' ' VAL . 0.6 OUTLIER -97.67 119.91 37.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.595 HG23 HG13 ' Q' ' 18' ' ' VAL . 6.5 p -125.17 126.34 70.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.64 ' HD2' HD13 ' R' ' 32' ' ' ILE . 46.3 t80 -82.26 -58.72 2.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.74 151.49 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.93 -175.79 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . 0.493 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 4.1 pt-20 -69.51 177.2 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 58.03 53.59 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.14 -63.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.21 -85.4 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -131.67 110.08 10.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' R' ' 30' ' ' ALA . 7.9 t-20 -115.6 143.63 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 115.98 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . 0.423 ' O ' HD12 ' R' ' 41' ' ' ILE . . . 69.06 67.56 1.91 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' R' ' 27' ' ' ASN . . . -107.92 103.64 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.709 HG22 HG22 ' Q' ' 31' ' ' ILE . 2.3 pp -109.66 133.73 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.67 HG21 HD12 ' Q' ' 32' ' ' ILE . 8.8 tp -135.34 142.29 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.9 135.59 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.562 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.73 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.3 mm? -53.22 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.66 91.19 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -99.07 163.23 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.2 140.87 7.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 55.1 23.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 16.5 m -97.6 120.04 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.633 HG13 HG23 ' Q' ' 40' ' ' VAL . 8.0 p -128.86 128.48 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.423 HD12 ' O ' ' R' ' 29' ' ' GLY . 9.7 tt -114.09 127.76 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -92.12 46.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 m170 58.42 41.04 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -39.43 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.05 144.03 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -132.95 85.66 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -99.41 96.77 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.52 137.15 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 20.4 t80 -107.89 -44.23 4.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -174.2 155.93 2.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -106.56 -69.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -170.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.6 t0 56.73 45.33 22.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -92.16 137.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.71 -73.62 0.77 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -135.52 98.76 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -89.64 71.11 7.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.41 89.5 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.79 104.27 2.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB1' ' HE2' ' A' ' 19' ' ' PHE . . . -142.28 110.47 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 31' ' ' ILE . 26.3 mt -128.26 129.34 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 17' ' ' LEU . 1.6 tt -128.32 122.58 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -170.61 124.79 1.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' B' ' 34' ' ' LEU . 6.4 mp -71.48 -35.47 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -122.1 62.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 36' ' ' VAL . 31.4 m -124.91 129.26 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 158.58 19.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.78 91.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.821 HG23 HG23 ' B' ' 39' ' ' VAL . 3.7 m -138.76 148.14 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG23 HG13 ' B' ' 40' ' ' VAL . 2.7 p -140.61 129.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -126.53 142.97 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.948 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.628 HG23 ' HD3' ' B' ' 16' ' ' LYS . 10.3 p -69.21 135.79 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -133.95 175.23 9.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -57.37 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.98 90.85 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.628 ' HD3' HG23 ' B' ' 12' ' ' VAL . 2.9 tptm -86.84 103.91 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.862 HD11 HD11 ' B' ' 32' ' ' ILE . 0.6 OUTLIER -118.75 82.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.82 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' B' ' 32' ' ' ILE . 90.9 t80 -107.9 -37.9 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -164.65 157.61 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -121.79 -69.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -165.61 -177.39 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 51.69 48.8 22.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.638 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.5 t -83.87 150.35 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.95 -120.24 3.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.3 m -90.58 90.97 8.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.99 104.29 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -115.56 82.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.18 97.88 2.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -123.4 94.05 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.708 0.289 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.423 HD12 ' HB ' ' A' ' 31' ' ' ILE . 16.6 mm -109.78 117.9 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.886 HD12 HG21 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -122.84 124.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.43 ' O ' HG12 ' B' ' 36' ' ' VAL . . . 177.47 139.01 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.749 HD13 ' HB3' ' K' ' 34' ' ' LEU . 1.0 OUTLIER -70.0 -60.18 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.425 ' HB2' HD21 ' K' ' 34' ' ' LEU . 0.0 OUTLIER -97.08 73.37 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 6.1 p -131.51 129.58 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.34 171.35 22.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.68 82.51 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.941 HG13 HG23 ' C' ' 39' ' ' VAL . 3.8 p -137.96 139.83 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.601 HG13 HG23 ' A' ' 40' ' ' VAL . 4.6 p -126.5 127.11 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 41' ' ' ILE . 11.3 mm -114.73 136.57 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.948 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -137.63 138.04 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.445 ' HB2' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -148.29 -171.75 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -53.73 -67.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.55 112.27 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.46 89.53 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.831 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -106.1 98.19 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.36 130.63 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.495 ' HE1' ' HB1' ' C' ' 30' ' ' ALA . 6.0 t80 -102.0 -42.4 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' D' ' 24' ' ' VAL . 32.1 m-85 -156.75 156.18 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -118.85 -67.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -166.84 -178.3 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 51.67 42.04 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' B' ' 20' ' ' PHE . 59.4 t -89.94 145.03 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.88 -117.46 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 123.11 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -128.58 98.31 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' C' ' 41' ' ' ILE . 15.9 tttt -111.35 113.57 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.498 ' CA ' HD13 ' C' ' 41' ' ' ILE . . . 83.06 67.82 1.46 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.495 ' HB1' ' HE1' ' C' ' 19' ' ' PHE . . . -99.32 93.98 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -116.09 121.63 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.886 HG21 HD12 ' B' ' 32' ' ' ILE . 3.3 tt -128.22 122.16 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.94 132.86 2.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' L' ' 34' ' ' LEU . 80.4 mt -63.12 -67.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.643 ' HB2' HD21 ' L' ' 34' ' ' LEU . 1.2 tpt -93.93 87.44 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' D' ' 36' ' ' VAL . 19.6 m -128.65 -173.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.7 161.07 23.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.82 73.44 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.941 HG23 HG13 ' B' ' 39' ' ' VAL . 13.2 p -126.24 133.28 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' D' ' 40' ' ' VAL . 3.4 p -129.06 125.21 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.702 HD12 ' N ' ' C' ' 42' ' ' ALA . 0.2 OUTLIER -120.05 124.16 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.732 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' E' ' 12' ' ' VAL . 23.7 m -62.66 170.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -86.71 164.45 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -131.2 -59.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.45 119.56 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -110.49 85.77 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.2 OUTLIER -98.79 99.06 10.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.686 HG12 HG12 ' E' ' 18' ' ' VAL . 12.3 p -125.16 130.99 72.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -99.67 -35.33 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' D' ' 24' ' ' VAL . 0.2 OUTLIER -165.1 155.71 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.85 -68.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.471 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.2 OUTLIER -164.09 -178.07 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 51.59 60.6 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' D' ' 20' ' ' PHE . 25.4 t -102.51 145.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.45 -99.79 1.06 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 107.36 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.9 99.46 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -101.2 92.22 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . 97.15 91.69 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.513 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.501 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -122.64 107.69 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.501 HD13 ' O ' ' D' ' 30' ' ' ALA . 19.2 mm -128.67 121.25 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.464 HD12 ' N ' ' D' ' 33' ' ' GLY . 1.3 tp -125.37 119.41 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.464 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -166.05 124.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.3 mtp -115.39 86.2 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.928 HG23 HG23 ' C' ' 36' ' ' VAL . 9.4 p -127.4 153.23 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.75 120.83 1.15 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.2 82.3 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.868 HG22 HG12 ' E' ' 39' ' ' VAL . 4.3 m -131.5 138.23 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.66 HG13 HG23 ' C' ' 40' ' ' VAL . 5.1 p -129.89 132.0 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.775 HG21 ' HA2' ' E' ' 29' ' ' GLY . 56.0 mt -118.95 130.57 73.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.516 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.425 ' HB ' HG21 ' D' ' 12' ' ' VAL . 36.0 t 56.42 68.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -89.14 94.35 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -66.97 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.87 111.46 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -101.77 105.22 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' D' ' 17' ' ' LEU . 0.2 OUTLIER -110.53 95.27 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.701 HG22 HG12 ' F' ' 18' ' ' VAL . 16.7 m -117.68 135.65 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -104.26 -42.89 5.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.429 ' HE2' HG21 ' F' ' 24' ' ' VAL . 33.5 m-85 -156.96 147.41 21.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -107.38 -65.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -169.36 -178.57 3.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 51.86 55.18 9.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' D' ' 20' ' ' PHE . 99.8 t -109.39 144.23 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.31 -121.53 3.16 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.2 136.79 33.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' E' ' 30' ' ' ALA . 9.3 t-20 -135.78 98.03 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -94.7 120.54 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.775 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 65.55 92.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' OD1' ' E' ' 27' ' ' ASN . . . -119.17 101.34 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.772 HG21 HD12 ' F' ' 31' ' ' ILE . 5.9 tp -119.18 121.96 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.464 HG12 HD13 ' D' ' 32' ' ' ILE . 2.7 tt -131.16 129.96 63.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.074 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.35 135.09 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' F' ' 34' ' ' LEU . 57.3 mt -57.56 -75.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.458 ' CB ' HD21 ' N' ' 34' ' ' LEU . 5.0 ttt -96.76 90.81 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.89 HG12 HG12 ' D' ' 36' ' ' VAL . 31.6 m -114.68 173.8 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.26 148.16 13.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.868 HG12 HG22 ' D' ' 39' ' ' VAL . 16.5 m -133.85 141.12 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.62 134.59 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.56 HG22 HD12 ' D' ' 41' ' ' ILE . 1.2 pp -122.04 146.74 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.026 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -126.81 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.02 153.32 17.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.61 -74.72 0.61 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -97.71 90.35 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.84 123.24 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -135.75 93.83 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' G' ' 18' ' ' VAL . 15.8 m -121.47 136.37 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' F' ' 32' ' ' ILE . 32.7 t80 -101.92 -36.19 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -165.94 151.83 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -107.94 -69.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -163.91 -177.27 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.08 66.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.476 HG22 ' CE2' ' F' ' 20' ' ' PHE . 21.7 t -114.12 148.63 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.15 -90.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.1 117.56 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.895 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.84 107.48 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -91.22 102.71 15.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.537 ' HA3' HG23 ' F' ' 41' ' ' ILE . . . 65.26 93.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.97 119.62 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.83 HG21 HD12 ' G' ' 31' ' ' ILE . 0.7 OUTLIER -126.62 123.33 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.452 HD12 ' HD2' ' F' ' 19' ' ' PHE . 8.8 tt -127.47 128.65 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.583 ' O ' HD12 ' F' ' 34' ' ' LEU . . . -167.61 -168.66 30.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.782 HD22 HD22 ' E' ' 34' ' ' LEU . 10.1 mp -126.34 -37.75 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -131.13 68.31 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.738 HG23 HG23 ' E' ' 36' ' ' VAL . 7.3 p -98.54 144.94 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.53 105.63 0.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 83.17 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.734 HG11 ' CD1' ' G' ' 31' ' ' ILE . 6.3 p -123.26 121.74 63.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 81.8 t -112.02 96.02 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.664 HG21 ' HA2' ' G' ' 29' ' ' GLY . 39.7 mm -89.2 97.76 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.641 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -92.49 178.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -174.95 140.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -176.64 -177.8 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.97 125.39 53.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 95.76 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.2 OUTLIER -102.69 96.89 7.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.721 HG12 HG22 ' F' ' 18' ' ' VAL . 19.6 m -120.7 134.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' G' ' 32' ' ' ILE . 6.8 t80 -97.15 -43.5 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.606 ' HE1' HG21 ' H' ' 24' ' ' VAL . 14.8 m-85 -157.48 155.14 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -109.83 -66.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -169.27 -178.1 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.68 67.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.408 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 61.6 t -126.23 137.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.27 -103.57 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -118.36 132.09 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.73 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 21.7 t-20 -113.04 106.99 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.0 105.41 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.744 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 62.5 102.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.73 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -127.54 116.6 20.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.83 HD12 HG21 ' F' ' 31' ' ' ILE . 0.6 OUTLIER -123.21 124.81 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.704 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -129.12 128.79 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.18 143.1 3.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' H' ' 34' ' ' LEU . 83.7 mt -63.9 -74.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.556 ' SD ' HD23 ' P' ' 17' ' ' LEU . 1.3 tpt -83.5 95.8 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' H' ' 36' ' ' VAL . 7.3 p -134.46 137.67 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.61 139.3 10.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.417 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' H' ' 39' ' ' VAL . 22.1 t -133.55 119.36 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 87.9 t -105.35 112.58 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.744 HG23 ' HA3' ' G' ' 29' ' ' GLY . 78.6 mt -102.8 92.64 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -142.54 151.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -63.33 167.41 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.88 -64.95 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.44 97.16 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -108.81 94.27 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.748 ' HB3' HD22 ' G' ' 17' ' ' LEU . 1.8 mm? -106.15 86.85 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.681 HG22 HG22 ' G' ' 18' ' ' VAL . 90.7 t -114.23 128.84 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.633 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 57.9 t80 -89.79 -49.05 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' I' ' 24' ' ' VAL . 0.3 OUTLIER -154.82 160.06 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -109.62 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 -177.63 4.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 57.79 57.34 4.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.606 HG21 ' HE1' ' G' ' 20' ' ' PHE . 22.0 t -112.49 148.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.83 -100.49 2.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.517 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -115.13 114.22 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -94.23 106.03 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -86.27 90.04 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.737 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 72.8 114.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.571 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.633 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -132.92 121.62 23.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.694 0.283 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.724 HG12 HG21 ' H' ' 39' ' ' VAL . 3.0 mp -128.1 117.69 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.704 HG21 HD12 ' G' ' 32' ' ' ILE . 12.4 tt -124.86 123.73 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.36 156.75 13.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' R' ' 35' ' ' MET . 4.3 mm? -80.93 -68.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.96 73.75 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.746 HG13 HG13 ' G' ' 36' ' ' VAL . 21.6 t -110.73 150.2 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.58 147.67 14.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.433 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.78 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.88 HG12 HG22 ' I' ' 39' ' ' VAL . 12.1 p -146.45 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' I' ' 40' ' ' VAL . 90.0 t -122.4 122.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.834 HG21 ' HA2' ' I' ' 29' ' ' GLY . 4.3 mt -102.38 97.61 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.61 137.82 53.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 57.71 52.0 8.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -139.82 139.97 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -124.65 92.05 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 95.2 6.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' I' ' 32' ' ' ILE . 1.4 mm? -110.41 88.47 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.26 103.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.693 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 20.3 t80 -56.73 -68.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -136.08 167.59 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -113.46 -75.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -161.34 -178.22 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 57.07 50.84 11.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 93.3 t -118.86 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.3 -95.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 133.42 53.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -114.39 107.13 15.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -83.65 95.3 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.834 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 73.87 118.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.693 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -136.06 116.85 14.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.575 HD11 HG12 ' I' ' 41' ' ' ILE . 2.6 mp -129.59 120.32 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.47 HD11 HD12 ' I' ' 17' ' ' LEU . 6.1 tp -128.96 123.59 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.77 161.89 23.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.92 -69.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.549 ' SD ' HD23 ' R' ' 17' ' ' LEU . 4.7 tpt -86.18 71.69 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' I' ' 39' ' ' VAL . 21.7 t -102.83 138.08 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.56 152.28 24.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 74.95 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.88 HG22 HG12 ' H' ' 39' ' ' VAL . 59.3 t -131.23 123.19 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.357 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' H' ' 40' ' ' VAL . 6.6 p -115.82 125.63 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.575 HG12 HD11 ' I' ' 31' ' ' ILE . 5.8 mt -104.63 136.38 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 m -133.2 36.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -74.46 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -72.49 -38.51 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -113.38 138.41 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -139.15 107.43 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' O ' ' J' ' 17' ' ' LEU . 2.9 pp -115.21 121.88 44.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.14 150.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.416 ' CE1' HG21 ' K' ' 32' ' ' ILE . 9.5 m-85 -99.49 -64.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -133.12 147.33 52.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.63 -177.29 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 53.39 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.45 57.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' K' ' 24' ' ' VAL . 7.6 p -59.31 130.3 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.47 -82.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.14 115.46 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.19 122.74 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -123.32 137.21 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.39 45.05 10.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.97 119.72 29.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.03 128.56 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' K' ' 32' ' ' ILE . 0.0 OUTLIER -122.47 139.64 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.29 91.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' K' ' 34' ' ' LEU . 4.4 mm? -51.68 -35.67 43.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.59 73.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.505 HG22 HG12 ' K' ' 36' ' ' VAL . 17.9 m -130.24 -172.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.85 172.39 42.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.76 64.42 4.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.407 ' HB ' HG22 ' K' ' 39' ' ' VAL . 35.4 t -101.35 137.51 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.593 HG23 HG13 ' K' ' 40' ' ' VAL . 5.7 p -151.61 121.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.7 HG22 HG22 ' K' ' 41' ' ' ILE . 2.3 tt -148.55 157.21 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 1.04 ' OXT' ' HE2' ' K' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 26.5 m -103.31 134.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -120.7 -169.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -143.24 123.18 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -118.14 108.28 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -116.54 132.2 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.411 HD23 ' N ' ' K' ' 18' ' ' VAL . 0.6 OUTLIER -125.28 124.47 41.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.411 ' N ' HD23 ' K' ' 17' ' ' LEU . 24.4 t -126.59 147.81 31.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -113.74 -38.22 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' K' ' 24' ' ' VAL . 32.8 m-85 -153.03 143.22 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 64.02 49.62 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 54.34 71.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' J' ' 24' ' ' VAL . 16.9 m -76.12 164.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.87 -113.52 3.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 105.81 17.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.912 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.28 94.49 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 1.04 ' HE2' ' OXT' ' J' ' 42' ' ' ALA . 0.2 OUTLIER -97.55 139.77 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.48 63.07 4.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.08 111.8 24.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 1.115 HD11 HG21 ' K' ' 41' ' ' ILE . 2.4 mp -121.73 134.82 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.416 HG21 ' CE1' ' J' ' 19' ' ' PHE . 3.0 tt -135.66 120.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.2 121.01 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.749 ' HB3' HD13 ' B' ' 34' ' ' LEU . 8.7 mp -63.55 -35.53 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.645 ' SD ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -134.02 98.15 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.627 HG22 HG12 ' L' ' 36' ' ' VAL . 34.7 m -145.03 170.81 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.84 157.46 27.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.02 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.594 HG11 HD12 ' L' ' 31' ' ' ILE . 68.0 t -130.13 121.9 52.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.593 HG13 HG23 ' J' ' 40' ' ' VAL . 3.8 p -120.51 124.1 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 1.115 HG21 HD11 ' K' ' 31' ' ' ILE . 17.6 pt -131.9 136.3 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.921 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.46 50.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 61.49 53.13 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -56.84 -62.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -105.31 115.51 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 107.38 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.91 128.1 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 1.002 HG21 ' HB2' ' L' ' 21' ' ' ALA . 7.6 p -141.87 127.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -87.29 -35.62 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' L' ' 24' ' ' VAL . 0.1 OUTLIER -156.01 102.36 2.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 1.002 ' HB2' HG21 ' L' ' 18' ' ' VAL . . . -113.93 50.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.72 148.56 7.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -51.48 112.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.612 HG22 ' CE2' ' L' ' 20' ' ' PHE . 15.0 t -95.62 152.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.37 -91.45 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -118.95 87.02 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.39 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.439 ' HB2' HG11 ' L' ' 24' ' ' VAL . 27.7 t-20 -93.69 134.45 36.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -140.2 105.53 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' K' ' 41' ' ' ILE . . . 96.86 91.45 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.405 ' O ' HD12 ' K' ' 31' ' ' ILE . . . -141.91 125.16 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 111.091 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.594 HD12 HG11 ' K' ' 39' ' ' VAL . 4.0 tt -136.92 135.99 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.65 HD12 HG21 ' M' ' 32' ' ' ILE . 1.9 tt -127.34 133.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.97 117.06 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' M' ' 34' ' ' LEU . 4.7 mt -51.76 -38.36 55.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 31.9 tpp -135.32 100.06 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' M' ' 36' ' ' VAL . 18.9 m -141.08 -177.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.04 164.09 33.9 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.35 63.99 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.563 HG11 HG21 ' L' ' 31' ' ' ILE . 25.1 t -117.76 133.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 HG22 ' M' ' 40' ' ' VAL . 20.5 m -127.86 133.28 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.699 ' HB ' HG22 ' M' ' 41' ' ' ILE . 35.5 mt -126.74 135.75 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.942 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.09 -176.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -61.12 177.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -142.06 162.94 34.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -117.14 109.26 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -114.1 111.11 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.19 121.31 38.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.658 HG23 HG13 ' L' ' 18' ' ' VAL . 5.4 p -136.47 129.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -92.98 -34.72 13.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . 0.583 ' HE1' HG21 ' N' ' 24' ' ' VAL . 2.4 m-85 -150.82 125.58 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.503 ' HB2' HG21 ' M' ' 18' ' ' VAL . . . -135.89 43.07 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.2 153.41 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.76 149.78 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.39 146.93 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.95 -57.56 2.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -141.52 137.85 32.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.54 133.52 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 26.6 tttt -138.82 137.04 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.47 94.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.96 122.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.612 HD13 ' CG1' ' M' ' 39' ' ' VAL . 4.0 mp -133.42 127.52 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.802 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -124.43 128.47 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.03 129.17 1.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.947 HD23 HD23 ' L' ' 34' ' ' LEU . 4.5 mm? -56.53 -42.73 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.574 ' SD ' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.52 90.19 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.73 HG23 HG23 ' L' ' 36' ' ' VAL . 6.4 p -128.84 143.99 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.58 159.61 22.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 78.61 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.612 ' CG1' HD13 ' M' ' 31' ' ' ILE . 96.7 t -125.29 114.81 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.768 HG12 HG22 ' N' ' 40' ' ' VAL . 13.1 m -116.57 132.79 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.699 HG22 ' HB ' ' L' ' 41' ' ' ILE . 1.9 pt -134.72 126.1 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.942 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.7 79.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.216 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . 0.495 ' CE1' HG23 ' O' ' 12' ' ' VAL . 36.9 m80 -148.12 113.95 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -176.71 -174.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -109.51 125.1 52.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 107.62 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 119.86 37.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' O' ' 18' ' ' VAL . 4.7 p -128.16 136.22 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -94.36 -35.36 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -151.37 127.73 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.435 ' HB2' HG21 ' N' ' 18' ' ' VAL . . . -136.1 43.6 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.49 158.59 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.81 126.59 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' O' ' 24' ' ' VAL . 40.4 t -112.81 145.31 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.92 -77.76 1.27 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -132.11 108.18 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.384 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -100.84 113.19 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -111.01 119.34 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 64.25 107.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.76 124.31 16.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.98 126.77 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.802 HG21 HD12 ' M' ' 32' ' ' ILE . 1.8 tt -127.43 121.96 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 119.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' M' ' 34' ' ' LEU . 8.8 mp -51.83 -44.52 63.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 32.5 tpp -123.36 76.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.672 ' CG1' HG12 ' O' ' 36' ' ' VAL . 6.1 p -113.97 144.03 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.4 142.8 12.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.33 83.42 0.14 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.812 HG22 HG12 ' O' ' 39' ' ' VAL . 17.4 m -138.9 136.41 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.768 HG22 HG12 ' M' ' 40' ' ' VAL . 18.8 m -126.62 132.76 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.602 HG12 HD11 ' M' ' 41' ' ' ILE . 21.9 mt -122.64 130.92 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' N' ' 13' ' ' HIS . 9.0 m -60.09 136.94 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.12 -179.17 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -125.01 115.77 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -84.35 108.88 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -121.36 116.92 25.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.97 123.25 31.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.734 HG13 HG13 ' N' ' 18' ' ' VAL . 26.1 t -133.42 132.88 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' O' ' 32' ' ' ILE . 38.4 t80 -93.27 -36.07 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.76 113.85 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.674 ' HB2' HG11 ' O' ' 18' ' ' VAL . . . -126.45 50.77 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.29 155.4 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.13 121.39 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.809 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' N' ' 24' ' ' VAL . 27.3 m -111.41 156.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.88 -82.69 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -136.6 117.59 14.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.43 131.56 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -117.54 82.46 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.41 103.24 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.37 125.54 40.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 45.3 mt -126.82 121.6 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.793 HG21 HD12 ' N' ' 32' ' ' ILE . 9.9 tt -123.49 131.5 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.09 126.17 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.565 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' P' ' 34' ' ' LEU . 39.7 mt -52.09 -62.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.667 ' HG2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -106.17 94.76 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' P' ' 36' ' ' VAL . 16.8 m -117.47 160.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.19 149.02 20.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 72.68 0.47 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.812 HG12 HG22 ' N' ' 39' ' ' VAL . 13.1 m -122.04 122.63 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.738 ' CG1' HG12 ' N' ' 40' ' ' VAL . 2.4 p -126.39 123.32 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 1.111 HD13 ' O ' ' O' ' 42' ' ' ALA . 0.0 OUTLIER -117.09 141.06 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 1.111 ' O ' HD13 ' O' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -161.85 143.3 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -55.04 123.45 13.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.89 -179.25 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.26 120.49 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.6 120.03 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -134.05 95.41 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' P' ' 21' ' ' ALA . 38.9 t -110.87 126.37 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' P' ' 32' ' ' ILE . 21.5 t80 -89.95 -35.32 15.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -150.78 117.54 5.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -127.78 35.65 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.405 ' O ' HG23 ' P' ' 24' ' ' VAL . 0.0 OUTLIER -159.67 161.2 34.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.1 133.35 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' P' ' 22' ' ' GLU . 93.5 t -127.27 144.26 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.13 -87.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -127.51 123.35 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -96.84 138.82 33.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -130.97 111.56 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' P' ' 41' ' ' ILE . . . 62.2 85.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.46 127.34 55.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.64 HD13 ' CD1' ' Q' ' 31' ' ' ILE . 4.7 mp -138.91 122.99 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.663 HD12 HG21 ' Q' ' 32' ' ' ILE . 1.6 tt -126.37 132.52 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.453 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 179.52 128.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' F' ' 34' ' ' LEU . 21.4 mt -51.99 -48.14 64.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.54 86.5 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' Q' ' 36' ' ' VAL . 18.9 m -107.34 153.59 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.23 3.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.86 71.84 0.97 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.65 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 5.7 p -124.21 122.26 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.051 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.722 HG12 ' CG1' ' Q' ' 40' ' ' VAL . 35.4 m -117.84 128.26 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.747 HD11 HD11 ' Q' ' 31' ' ' ILE . 63.9 mt -114.39 124.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.626 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.81 45.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -133.53 93.09 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -133.65 148.36 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.6 112.0 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 126.94 35.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' P' ' 17' ' ' LEU . 0.6 OUTLIER -137.42 125.63 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.409 ' N ' HD23 ' Q' ' 17' ' ' LEU . 43.4 t -134.28 125.79 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 49.3 t80 -83.37 -45.04 14.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.4 131.03 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.33 35.32 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . 0.521 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.4 OUTLIER -160.06 165.64 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.99 134.89 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.584 HG13 HG23 ' R' ' 24' ' ' VAL . 21.7 t -133.55 150.0 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.15 -101.84 2.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 121.08 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.93 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.84 95.13 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -87.87 104.27 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' P' ' 41' ' ' ILE . . . 68.49 111.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.85 116.94 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.747 HD11 HD11 ' P' ' 41' ' ' ILE . 43.6 mm -126.95 110.62 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.663 HG21 HD12 ' P' ' 32' ' ' ILE . 8.7 tt -119.2 128.75 75.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . 0.631 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 175.01 130.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.728 HD22 HD12 ' R' ' 34' ' ' LEU . 62.1 mt -51.62 -59.24 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.652 ' CE ' HD23 ' H' ' 17' ' ' LEU . 0.4 OUTLIER -104.37 71.92 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.742 HG12 HG22 ' P' ' 36' ' ' VAL . 18.4 m -91.04 137.09 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.16 19.79 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 69.51 1.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.692 HG22 HG12 ' R' ' 39' ' ' VAL . 16.1 m -120.17 133.25 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.722 ' CG1' HG12 ' P' ' 40' ' ' VAL . 6.4 p -136.31 138.54 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' R' ' 29' ' ' GLY . 6.4 mt -125.45 138.91 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.626 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -126.38 66.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -132.78 160.11 37.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -68.89 167.13 16.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -114.4 80.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -107.68 129.18 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' I' ' 35' ' ' MET . 0.2 OUTLIER -137.49 127.69 26.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' R' ' 21' ' ' ALA . 6.9 p -136.5 123.27 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.406 ' CZ ' ' HB1' ' R' ' 30' ' ' ALA . 42.7 t80 -81.04 -37.27 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -163.02 124.88 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' R' ' 18' ' ' VAL . . . -128.77 37.45 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.07 166.68 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.98 146.22 55.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.584 HG23 HG13 ' Q' ' 24' ' ' VAL . 15.4 m -147.66 157.08 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.12 -79.59 1.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.44 126.09 46.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 123.11 48.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -106.09 111.97 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 55.29 91.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' R' ' 19' ' ' PHE . . . -119.29 105.33 11.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.686 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.1 mp -115.17 126.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tp -127.87 137.63 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.26 130.86 1.24 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.552 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.728 HD12 HD22 ' Q' ' 34' ' ' LEU . 19.4 mt -51.96 -50.37 61.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.6 ' HB2' HD11 ' H' ' 34' ' ' LEU . 0.5 OUTLIER -106.23 60.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.644 HG23 HG23 ' Q' ' 36' ' ' VAL . 12.3 p -85.83 137.39 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 158.79 27.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 62.71 5.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.577 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.692 HG12 HG22 ' Q' ' 39' ' ' VAL . 16.5 m -113.5 134.77 55.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' Q' ' 40' ' ' VAL . 2.6 p -141.28 106.48 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' Q' ' 41' ' ' ILE . 25.2 pt -102.39 143.47 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.561 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.26 61.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.25 136.62 34.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -95.2 36.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.56 130.46 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 119.14 14.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' HD22 ' B' ' 17' ' ' LEU . 2.2 pt? -125.72 132.99 52.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' B' ' 18' ' ' VAL . 9.5 m -144.91 166.62 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.733 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 62.9 t80 -114.5 -62.12 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE2' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -126.65 147.37 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -117.45 -35.75 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.87 177.1 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -71.31 159.68 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG22 ' CE2' ' A' ' 20' ' ' PHE . 22.1 t -129.08 123.82 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -63.87 3.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.26 93.18 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -102.85 110.86 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 42' ' ' ALA . 3.8 tmtp? -129.93 90.31 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.94 83.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.733 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -138.23 117.12 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.702 HG21 HD12 ' B' ' 31' ' ' ILE . 12.2 tt -139.73 133.7 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 tt -132.49 122.09 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 34' ' ' LEU . . . -154.32 -169.1 18.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' B' ' 34' ' ' LEU . 1.7 mm? -121.36 -45.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.455 ' SD ' HD21 ' K' ' 17' ' ' LEU . 21.5 mtm -123.35 60.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 36' ' ' VAL . 6.5 t -109.84 129.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 157.67 17.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.18 81.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.044 HG11 HD13 ' B' ' 31' ' ' ILE . 7.6 p -118.98 126.31 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 HG13 ' B' ' 40' ' ' VAL . 9.8 p -121.19 134.77 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -133.01 143.87 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.284 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -150.66 123.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -162.7 170.45 18.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -51.91 -49.97 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.18 112.65 25.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 153.7 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.625 ' O ' HD23 ' B' ' 17' ' ' LEU . 0.7 OUTLIER -156.1 122.33 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 18' ' ' VAL . 7.9 p -138.76 141.37 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 86.7 t80 -93.22 -35.99 12.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.25 148.31 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -118.22 -56.62 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 177.86 7.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.81 161.37 31.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.36 143.15 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -64.54 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -129.73 111.35 12.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.78 121.69 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.68 124.21 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.03 86.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' B' ' 19' ' ' PHE . . . -131.03 109.88 10.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 1.044 HD13 HG11 ' A' ' 39' ' ' VAL . 1.6 tt -126.41 136.1 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.796 HD12 HG21 ' C' ' 32' ' ' ILE . 1.5 tt -135.59 125.0 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.74 147.73 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.521 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 34' ' ' LEU . 1.1 mt -67.82 -68.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.954 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.21 105.46 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 36' ' ' VAL . 14.3 m -147.61 170.46 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.01 160.56 34.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.9 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.396 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.756 HG13 HG13 ' A' ' 39' ' ' VAL . 38.2 t -123.23 137.45 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.354 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.547 HG23 HG23 ' C' ' 40' ' ' VAL . 2.7 p -144.32 120.8 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.743 HD12 ' OXT' ' B' ' 42' ' ' ALA . 1.1 pp -130.72 147.86 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 1.284 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.42 154.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.34 -174.73 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -75.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -99.4 115.9 30.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -129.96 109.71 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -108.05 88.99 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.508 HG13 HG13 ' B' ' 18' ' ' VAL . 36.2 t -107.27 130.45 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 66.7 t80 -90.83 -35.52 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.53 156.57 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.5 -62.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -179.54 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -77.24 174.91 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.02 149.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.19 -69.77 1.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.5 t -123.8 108.15 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.16 120.66 38.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.516 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 34.0 tttt -127.46 123.66 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.57 90.17 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -135.51 108.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.077 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.886 HD12 HD11 ' C' ' 41' ' ' ILE . 2.7 mp -125.68 124.58 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.796 HG21 HD12 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -126.63 127.37 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.03 148.13 6.78 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' D' ' 34' ' ' LEU . 2.2 mt -71.94 -70.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.7 tpp -83.76 88.25 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.538 HG13 HG23 ' B' ' 36' ' ' VAL . 2.8 t -130.62 161.76 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.22 152.94 20.31 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.31 71.71 0.69 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.781 HG11 HD13 ' C' ' 31' ' ' ILE . 84.8 t -119.4 130.43 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.726 HG12 ' CG1' ' D' ' 40' ' ' VAL . 31.4 m -122.6 122.85 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.886 HD11 HD12 ' C' ' 31' ' ' ILE . 67.0 mt -117.74 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.636 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.09 135.28 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -115.96 137.34 52.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.05 -46.67 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.509 HE22 HD23 ' D' ' 17' ' ' LEU . 36.4 tp60 -121.28 93.43 4.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -106.73 103.15 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.79 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.2 OUTLIER -110.41 101.36 10.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -121.43 127.06 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' D' ' 32' ' ' ILE . 11.2 t80 -90.54 -35.16 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.87 140.53 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -114.7 -42.03 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -175.94 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -82.28 174.99 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 75.5 t -147.55 143.89 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.86 -72.98 1.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.24 101.34 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -105.34 111.59 24.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -116.08 108.92 16.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.77 98.08 1.1 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' D' ' 19' ' ' PHE . . . -140.97 109.8 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.855 HG21 HG21 ' D' ' 39' ' ' VAL . 1.6 tp -129.27 125.28 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' E' ' 32' ' ' ILE . 3.7 mp -127.87 133.5 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.1 141.34 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.662 HD23 HD23 ' C' ' 34' ' ' LEU . 4.4 mm? -71.12 -65.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.428 ' SD ' HD12 ' M' ' 17' ' ' LEU . 0.0 OUTLIER -92.07 75.55 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.88 151.61 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 118.56 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.46 83.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 31' ' ' ILE . 6.4 p -128.32 122.21 57.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.726 ' CG1' HG12 ' C' ' 40' ' ' VAL . 6.1 p -121.31 121.35 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.671 ' CD1' HD12 ' C' ' 41' ' ' ILE . 47.5 mm -112.44 133.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.873 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.52 143.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -142.6 115.84 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -76.02 -68.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -99.46 107.29 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 95.6 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.836 HD11 HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -104.86 91.68 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.54 122.85 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.65 -35.14 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -155.02 143.63 20.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.4 -43.15 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -178.24 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.01 168.57 19.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 t -142.54 142.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.35 -74.4 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.58 125.73 36.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.78 137.89 53.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -137.88 113.55 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.1 81.56 0.89 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.574 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 117.28 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.289 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.891 HG21 HG21 ' E' ' 39' ' ' VAL . 0.7 OUTLIER -137.08 122.45 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.948 HG23 HG23 ' D' ' 32' ' ' ILE . 4.2 tt -129.08 122.04 55.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.69 146.11 8.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' D' ' 34' ' ' LEU . 4.1 mm? -75.45 -69.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.9 tpt -85.23 69.18 10.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -97.62 148.65 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.0 101.05 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.23 92.08 1.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.891 HG21 HG21 ' E' ' 31' ' ' ILE . 5.9 p -128.23 120.11 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.51 HG23 HG13 ' F' ' 40' ' ' VAL . 2.8 p -131.59 122.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.674 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.6 pp -128.27 138.78 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.873 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.556 HG12 ' HD2' ' G' ' 16' ' ' LYS . 25.3 m -55.57 151.88 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -158.75 -179.49 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -51.92 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.61 115.83 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -119.82 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -101.3 101.84 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.07 120.35 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -85.34 -39.02 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' F' ' 24' ' ' VAL . 5.3 m-85 -151.79 141.3 21.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.11 -45.9 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -176.07 4.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -82.02 150.79 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.442 HG21 ' CE2' ' F' ' 20' ' ' PHE . 57.9 t -136.84 138.53 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 -90.48 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.425 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -92.62 121.02 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.29 104.96 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -118.28 133.53 55.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.07 61.61 2.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 97.78 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.435 HD11 HG22 ' F' ' 41' ' ' ILE . 32.5 mt -116.72 117.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' E' ' 32' ' ' ILE . 9.8 tt -126.52 121.62 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.94 141.45 4.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -73.82 -74.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.458 ' HG3' HD11 ' O' ' 34' ' ' LEU . 0.0 OUTLIER -78.44 83.68 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.69 152.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.38 106.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 78.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.682 HG12 ' CG1' ' E' ' 39' ' ' VAL . 25.6 m -113.76 133.54 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.76 HG23 HG13 ' G' ' 40' ' ' VAL . 3.5 p -145.58 130.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.949 HD11 HG23 ' G' ' 41' ' ' ILE . 1.3 pp -134.38 141.63 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 1.009 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -134.18 -176.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -52.09 153.63 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -165.15 147.27 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -105.94 96.94 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.556 ' HD2' HG12 ' F' ' 12' ' ' VAL . 3.6 mtpt -97.05 93.15 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.739 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -102.0 91.96 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -117.55 129.15 74.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.599 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 41.0 t80 -88.07 -37.55 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -150.33 145.29 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 -51.69 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.79 -176.59 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.52 167.62 20.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -146.26 138.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.74 -78.65 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.537 HD21 ' HB2' ' G' ' 30' ' ' ALA . 0.6 OUTLIER -100.96 101.3 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -113.64 136.44 52.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.71 92.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.599 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -137.76 108.31 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.688 HD12 HD11 ' G' ' 41' ' ' ILE . 53.9 mt -126.39 127.41 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.677 HD12 HG21 ' H' ' 32' ' ' ILE . 1.7 tt -126.98 124.95 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.87 135.85 2.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' F' ' 34' ' ' LEU . 4.0 mm? -66.43 -72.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.44 79.54 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.21 122.33 67.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.18 143.25 17.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.553 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.01 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.646 HG23 HG23 ' F' ' 39' ' ' VAL . 4.6 p -126.02 119.4 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.76 HG13 HG23 ' F' ' 40' ' ' VAL . 2.1 p -124.33 121.62 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.949 HG23 HD11 ' F' ' 41' ' ' ILE . 84.1 mt -120.3 133.87 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 1.009 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 18.9 t 60.79 61.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 51.73 44.6 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -63.64 176.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.2 114.7 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.03 96.96 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.2 OUTLIER -103.56 99.87 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.02 124.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 93.2 t80 -82.52 -36.92 25.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.39 140.99 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.75 -49.56 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -175.09 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -85.06 157.71 20.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' H' ' 27' ' ' ASN . 21.9 t -125.77 144.12 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.91 -68.68 1.26 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.43 96.57 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.576 ' HB2' HG11 ' H' ' 24' ' ' VAL . 18.2 t-20 -106.58 107.5 18.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -115.43 102.58 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.41 98.84 1.5 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -142.47 114.04 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.513 HG21 HG21 ' H' ' 39' ' ' VAL . 1.9 tp -131.49 125.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.677 HG21 HD12 ' G' ' 32' ' ' ILE . 2.3 tt -124.13 137.68 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 134.07 1.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.662 HD22 HD12 ' I' ' 34' ' ' LEU . 64.1 mt -70.01 -74.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.69 74.08 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -110.34 166.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.92 129.69 2.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.36 88.53 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.557 HG13 HG23 ' I' ' 39' ' ' VAL . 6.7 p -121.89 126.96 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' I' ' 40' ' ' VAL . 6.4 p -133.78 122.34 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.615 HG22 HG22 ' I' ' 41' ' ' ILE . 0.0 OUTLIER -122.95 144.34 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 1.176 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -52.32 155.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.91 108.27 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -74.95 153.4 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.78 99.01 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 105.99 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.683 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.2 OUTLIER -111.56 108.08 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 p -126.3 123.13 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -79.55 -38.3 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.78 144.56 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.66 -35.61 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -93.58 -176.82 4.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.06 163.78 13.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.51 149.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 -45.61 4.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -146.91 134.18 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -144.01 126.6 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.67 124.22 51.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.37 105.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.7 97.58 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.698 HG21 HG21 ' I' ' 39' ' ' VAL . 2.9 tp -107.87 112.04 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.415 HG21 HD12 ' H' ' 32' ' ' ILE . 5.5 tp -121.04 127.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.03 164.19 23.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.662 HD12 HD22 ' H' ' 34' ' ' LEU . 86.9 mt -93.45 -74.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.665 ' HG3' HD11 ' R' ' 34' ' ' LEU . 0.3 OUTLIER -70.9 86.54 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.59 145.08 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.23 102.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.65 93.99 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.698 HG21 HG21 ' I' ' 31' ' ' ILE . 6.8 p -122.62 134.29 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.524 HG23 HG23 ' H' ' 40' ' ' VAL . 15.9 m -140.84 126.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.678 HD12 ' OXT' ' I' ' 42' ' ' ALA . 2.3 pp -124.48 136.33 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 1.176 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.989 0.423 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 t -99.58 75.03 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -113.26 42.04 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 47.3 m80 56.75 36.67 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -136.92 149.33 47.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.08 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.918 HD12 HD11 ' K' ' 17' ' ' LEU . 0.2 OUTLIER -147.27 129.48 15.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.669 HG13 HG23 ' K' ' 18' ' ' VAL . 6.1 p -130.78 135.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' K' ' 32' ' ' ILE . 0.6 OUTLIER -96.63 -67.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -142.88 125.45 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.29 -176.42 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.28 53.41 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 62.98 72.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.29 134.17 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.13 -109.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.565 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 122.86 47.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -130.15 111.76 12.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -114.42 140.74 48.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 55.15 24.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.29 107.06 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.68 128.79 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.466 HD12 ' HD2' ' J' ' 19' ' ' PHE . 21.0 tt -122.05 134.32 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.99 106.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.582 HD23 ' HG ' ' K' ' 34' ' ' LEU . 1.2 mp -66.24 121.56 15.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.41 40.7 8.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.453 ' H ' HG12 ' K' ' 36' ' ' VAL . 9.7 p -92.91 153.16 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.69 165.19 12.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.18 83.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.558 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.77 HG11 HG13 ' K' ' 31' ' ' ILE . 22.7 t -127.27 114.84 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 HG13 ' K' ' 40' ' ' VAL . 6.8 p -127.65 130.87 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.809 HG21 ' HA2' ' K' ' 29' ' ' GLY . 39.8 mm -117.17 137.65 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.84 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' K' ' 12' ' ' VAL . 20.4 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' K' ' 11' ' ' GLU . 33.1 m -103.91 38.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -136.0 171.46 14.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -127.41 -41.31 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -121.99 138.41 54.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.9 127.11 17.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.918 HD11 HD12 ' J' ' 17' ' ' LEU . 0.4 OUTLIER -125.97 119.18 27.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.694 ' CG1' HG12 ' L' ' 18' ' ' VAL . 4.3 p -118.79 130.38 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.569 ' HE1' ' HB1' ' K' ' 30' ' ' ALA . 3.2 t80 -97.3 -53.38 3.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' K' ' 24' ' ' VAL . 30.3 m-85 -142.5 136.87 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.98 -178.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 61.9 59.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t0 55.29 89.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' K' ' 20' ' ' PHE . 91.3 t -89.66 142.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.27 -74.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.1 p -152.46 138.77 18.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.799 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -142.12 132.78 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.17 138.68 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.809 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 58.0 76.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.569 ' HB1' ' HE1' ' K' ' 19' ' ' PHE . . . -115.77 129.72 56.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.77 HG13 HG11 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -138.17 132.71 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.582 HG23 ' CG2' ' L' ' 32' ' ' ILE . 8.9 mt -125.98 122.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.61 ' O ' HG13 ' K' ' 36' ' ' VAL . . . -173.62 111.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' L' ' 34' ' ' LEU . 8.0 mt -70.18 121.2 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttt 64.17 61.91 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.61 HG13 ' O ' ' K' ' 33' ' ' GLY . 22.8 m -98.8 -177.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.38 122.49 1.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.55 88.25 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.529 HG11 HG21 ' K' ' 31' ' ' ILE . 40.1 t -132.89 127.28 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.586 HG13 HG23 ' J' ' 40' ' ' VAL . 6.9 p -130.4 127.33 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.085 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.407 HG23 ' HA3' ' K' ' 29' ' ' GLY . 43.1 mm -115.72 125.83 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.925 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.84 139.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -133.72 -176.28 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -116.67 -57.69 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -100.49 109.93 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -121.61 130.63 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.498 ' C ' HD13 ' L' ' 17' ' ' LEU . 3.5 tm? -134.65 99.08 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG1' ' K' ' 18' ' ' VAL . 28.6 m -107.9 126.82 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -100.19 -56.87 2.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.1 124.72 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.41 -174.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 63.45 63.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 50.55 70.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.507 ' CG2' HG13 ' K' ' 24' ' ' VAL . 22.8 m -78.2 151.64 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.96 -111.85 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 142.88 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.63 130.33 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -114.37 85.7 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.31 107.88 3.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.05 118.91 15.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.722 0.296 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.736 HG23 HG23 ' K' ' 31' ' ' ILE . 16.9 mt -130.53 117.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.582 ' CG2' HG23 ' K' ' 32' ' ' ILE . 4.7 tp -116.85 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.456 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -167.14 122.42 1.05 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.879 HD12 HD22 ' K' ' 34' ' ' LEU . 3.6 mp -77.43 117.22 18.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.829 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.489 ' HB2' HD11 ' C' ' 34' ' ' LEU . 0.3 OUTLIER 63.67 66.25 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.558 HG22 HG12 ' M' ' 36' ' ' VAL . 21.3 m -98.7 -173.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.96 124.55 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.03 78.61 0.57 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' M' ' 39' ' ' VAL . 19.4 m -123.94 130.27 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.75 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -135.76 134.46 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.421 HD11 HG13 ' L' ' 31' ' ' ILE . 60.4 mt -129.04 141.65 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.975 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.473 ' O ' HG22 ' M' ' 12' ' ' VAL . 9.9 p -109.32 31.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -165.21 135.44 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -163.07 116.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -126.2 106.24 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.49 136.27 54.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' M' ' 18' ' ' VAL . 0.8 OUTLIER -137.35 125.58 23.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.626 ' CG1' HG22 ' N' ' 18' ' ' VAL . 4.9 p -130.46 129.41 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.422 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 8.0 t80 -98.54 -55.39 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . 0.517 ' HB3' HG21 ' M' ' 24' ' ' VAL . 8.9 m-85 -141.01 131.77 25.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.18 -169.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.94 60.42 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 55.37 77.77 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' M' ' 20' ' ' PHE . 70.9 t -78.95 145.18 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.5 -103.74 1.09 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 133.61 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -127.17 142.96 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -135.49 106.89 6.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.53 82.82 0.69 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -111.08 115.55 29.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.521 HD13 HG12 ' N' ' 31' ' ' ILE . 3.1 mp -122.64 112.72 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.552 HG23 ' HA ' ' L' ' 32' ' ' ILE . 0.8 OUTLIER -119.5 113.79 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.521 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -162.64 128.09 1.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' L' ' 34' ' ' LEU . 2.7 mm? -76.01 118.0 18.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.662 ' HE1' HD23 ' C' ' 17' ' ' LEU . 8.1 ttp 62.37 63.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.558 HG12 HG22 ' L' ' 36' ' ' VAL . 26.3 m -96.14 -174.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.86 132.83 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 81.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' L' ' 39' ' ' VAL . 39.6 t -123.21 106.53 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.75 HG13 HG23 ' L' ' 40' ' ' VAL . 2.7 p -113.66 106.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 1.181 HD13 ' O ' ' M' ' 42' ' ' ALA . 0.0 OUTLIER -114.21 144.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 1.181 ' O ' HD13 ' M' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.7 -37.18 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -56.65 163.1 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -118.07 -69.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -94.5 114.05 25.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -141.59 134.9 29.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.438 HD23 ' N ' ' N' ' 18' ' ' VAL . 0.7 OUTLIER -133.52 127.2 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.626 HG22 ' CG1' ' M' ' 18' ' ' VAL . 46.8 t -127.42 129.09 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -94.44 -74.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.531 ' HB3' HG11 ' N' ' 24' ' ' VAL . 2.3 m-85 -126.86 136.12 51.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.09 -168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 63.45 54.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 57.57 66.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.531 HG11 ' HB3' ' N' ' 20' ' ' PHE . 20.9 m -75.84 144.81 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -112.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t -101.13 132.55 46.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.87 139.3 39.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -133.98 144.25 48.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 66.95 2.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.36 107.26 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.689 0.28 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.521 HG12 HD13 ' M' ' 31' ' ' ILE . 32.1 mt -122.78 126.11 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.54 HD12 HG21 ' O' ' 32' ' ' ILE . 2.9 tt -127.25 129.79 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.57 ' O ' HG13 ' N' ' 36' ' ' VAL . . . -174.03 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.546 HD23 HD12 ' M' ' 34' ' ' LEU . 4.4 mm? -68.41 112.09 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.418 ' HE1' HE22 ' D' ' 15' ' ' GLN . 0.6 OUTLIER 64.07 78.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' N' ' 33' ' ' GLY . 8.6 m -104.66 176.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.32 108.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.56 92.65 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.528 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.51 HG13 HD13 ' N' ' 31' ' ' ILE . 20.9 t -129.73 138.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.103 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.611 HG13 ' HA ' ' M' ' 40' ' ' VAL . 2.4 p -155.4 121.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.888 HD12 ' OXT' ' N' ' 42' ' ' ALA . 1.2 pp -127.13 143.94 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.888 ' OXT' HD12 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -111.69 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.16 141.38 3.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.72 117.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.35 97.53 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.54 131.64 55.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.433 HD23 ' N ' ' O' ' 18' ' ' VAL . 0.7 OUTLIER -134.13 127.41 32.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.433 ' N ' HD23 ' O' ' 17' ' ' LEU . 46.9 t -128.56 126.19 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' O' ' 30' ' ' ALA . 67.0 t80 -94.92 -37.01 11.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -163.13 100.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.8 52.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.524 ' O ' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -162.31 145.36 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -50.05 114.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.945 HG13 HG23 ' P' ' 24' ' ' VAL . 95.0 t -107.19 122.89 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -65.59 3.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.02 114.78 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.824 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.4 ' HB2' HG11 ' O' ' 24' ' ' VAL . 1.8 t30 -115.54 125.05 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.11 113.37 18.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.79 94.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' O' ' 19' ' ' PHE . . . -135.38 112.82 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.336 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.434 HG12 HD11 ' O' ' 41' ' ' ILE . 22.0 mm -125.36 125.43 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.54 HG21 HD12 ' N' ' 32' ' ' ILE . 4.4 tt -128.29 127.41 67.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.575 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 178.28 126.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.611 HD13 ' H ' ' P' ' 34' ' ' LEU . 4.3 mm? -73.31 124.14 25.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.6 ttt 61.16 66.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.643 HG23 HG23 ' P' ' 36' ' ' VAL . 30.6 m -105.77 160.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.83 139.02 10.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.4 100.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.43 117.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.597 HG13 HG23 ' N' ' 40' ' ' VAL . 5.9 p -121.86 126.36 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.579 HG23 HD11 ' N' ' 41' ' ' ILE . 73.9 mt -117.86 125.81 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.676 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.42 167.9 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -148.78 151.58 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -124.74 -67.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.17 108.35 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 122.64 31.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.445 ' HB2' ' HE1' ' F' ' 35' ' ' MET . 0.4 OUTLIER -128.06 129.93 47.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' P' ' 21' ' ' ALA . 48.9 t -134.7 124.08 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.447 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 64.1 t80 -88.6 -35.58 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.42 119.01 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG11 ' P' ' 18' ' ' VAL . . . -134.06 48.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.74 142.39 15.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.4 129.49 40.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.945 HG23 HG13 ' O' ' 24' ' ' VAL . 5.5 m -122.55 165.01 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.73 -67.08 0.85 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 99.7 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -113.11 108.29 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -117.07 114.13 23.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.02 86.27 1.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -135.63 117.23 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.523 HD12 HD11 ' P' ' 41' ' ' ILE . 64.8 mt -133.44 142.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.55 HD12 HG21 ' Q' ' 32' ' ' ILE . 3.2 tt -141.79 132.3 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.44 118.78 0.49 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.611 ' H ' HD13 ' O' ' 34' ' ' LEU . 87.5 mt -66.65 130.2 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttt 63.26 58.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.689 HG13 HG23 ' Q' ' 36' ' ' VAL . 6.4 p -101.93 144.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.14 136.2 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.96 67.05 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.509 HG13 HD13 ' P' ' 31' ' ' ILE . 21.4 t -114.22 119.58 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.602 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.4 p -132.22 122.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' Q' ' 41' ' ' ILE . 61.7 mt -120.81 141.46 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.64 -32.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -88.11 139.36 30.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -124.86 148.35 48.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -101.27 105.47 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -119.3 124.47 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.27 124.72 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.714 ' HB ' HG12 ' R' ' 18' ' ' VAL . 89.8 t -131.87 131.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -96.27 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -134.63 84.44 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . 0.437 ' O ' HG23 ' Q' ' 24' ' ' VAL . 0.0 OUTLIER -143.73 141.68 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.25 126.22 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' Q' ' 22' ' ' GLU . 21.0 t -121.98 150.67 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.57 -49.5 1.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.34 99.54 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.07 136.11 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -145.9 132.18 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . 0.644 ' HA3' HG21 ' Q' ' 41' ' ' ILE . . . 75.5 89.29 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.33 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.488 HD12 HD11 ' Q' ' 41' ' ' ILE . 78.9 mt -135.03 130.57 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.55 HG21 HD12 ' P' ' 32' ' ' ILE . 5.6 tt -129.51 132.13 66.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.35 108.42 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.818 HD22 HD12 ' R' ' 34' ' ' LEU . 6.5 mt -56.35 137.4 52.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttt 63.01 57.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.829 HG13 HG23 ' R' ' 36' ' ' VAL . 6.1 p -101.21 144.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.34 138.46 10.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.13 77.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.499 ' HB ' HG12 ' R' ' 39' ' ' VAL . 94.9 t -124.79 123.79 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.917 0.389 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.602 HG13 HG23 ' P' ' 40' ' ' VAL . 3.9 p -137.2 115.61 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.644 HG21 ' HA3' ' Q' ' 29' ' ' GLY . 28.6 mt -118.2 142.4 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.82 170.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -93.88 155.71 17.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -162.36 160.37 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 118.92 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.39 72.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.67 101.74 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.714 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 15.5 m -120.53 137.12 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.789 ' CE2' HD13 ' R' ' 32' ' ' ILE . 0.2 OUTLIER -92.82 -63.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.77 131.75 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.35 31.15 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . 0.63 ' O ' HG23 ' R' ' 24' ' ' VAL . 11.8 mt-10 -133.95 144.92 49.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -54.72 116.14 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.63 HG23 ' O ' ' R' ' 22' ' ' GLU . 21.6 t -116.62 150.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.32 -57.07 2.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.428 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 159.1 40.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.916 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.18 123.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -125.04 137.55 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.26 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.41 102.59 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.451 HD11 HG11 ' Q' ' 36' ' ' VAL . 0.0 OUTLIER -117.74 143.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.789 HD13 ' CE2' ' R' ' 19' ' ' PHE . 7.3 tp -139.15 144.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.73 108.1 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.818 HD12 HD22 ' Q' ' 34' ' ' LEU . 12.8 mt -51.71 136.89 26.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.742 0.306 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' I' ' 17' ' ' LEU . 3.1 ttt 63.31 51.35 2.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.829 HG23 HG13 ' Q' ' 36' ' ' VAL . 6.6 p -89.5 144.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.19 125.42 3.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.37 84.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' Q' ' 39' ' ' VAL . 6.4 m -133.99 134.54 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.516 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.93 125.4 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.32 137.8 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.65 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.43 134.43 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.47 149.64 33.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.36 -46.5 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HB3' ' HE2' ' K' ' 35' ' ' MET . 2.6 mp0 -89.24 106.84 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.05 106.46 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' K' ' 35' ' ' MET . 0.2 OUTLIER -110.36 101.72 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.09 135.26 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 32' ' ' ILE . 5.2 t80 -115.58 -57.61 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.56 144.07 21.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.93 -71.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.72 -173.08 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 56.17 74.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -129.79 105.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -68.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -116.81 94.28 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -94.71 84.19 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -125.08 148.14 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 63.11 60.72 7.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.26 119.43 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.939 HD11 HG21 ' A' ' 41' ' ' ILE . 5.2 mp -142.63 130.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.771 HD11 ' CE2' ' A' ' 19' ' ' PHE . 3.3 mp -129.92 113.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.38 114.78 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD23 HD12 ' B' ' 34' ' ' LEU . 0.6 OUTLIER -67.29 -35.55 79.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.989 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 50.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.977 HG13 HG23 ' B' ' 36' ' ' VAL . 8.9 p -102.2 146.92 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.398 . . . . 0.0 111.064 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.19 109.3 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.41 77.91 1.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' HG22 ' B' ' 39' ' ' VAL . 5.9 p -125.02 121.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG23 HG13 ' B' ' 40' ' ' VAL . 5.0 p -132.83 123.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.939 HG21 HD11 ' A' ' 31' ' ' ILE . 2.0 pp -139.06 162.19 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.878 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.914 0.387 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.58 125.66 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -144.1 118.1 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -83.63 -49.92 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -119.46 108.4 14.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 120.51 41.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.958 HD22 HD12 ' C' ' 17' ' ' LEU . 0.3 OUTLIER -121.71 80.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.637 ' HB ' HG13 ' C' ' 18' ' ' VAL . 42.1 t -102.77 138.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -125.66 -38.45 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -169.19 135.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -101.97 -72.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.03 -176.42 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 61.38 84.98 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 t -150.45 139.94 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 -71.32 1.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.62 112.65 24.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.781 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.16 90.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.878 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -125.33 118.54 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.595 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . 100.51 40.34 2.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.94 93.37 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' C' ' 31' ' ' ILE . 22.7 mm -118.16 129.31 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.651 HG23 HG23 ' C' ' 32' ' ' ILE . 4.5 mp -134.48 133.51 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.53 123.79 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.52 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 34' ' ' LEU . 94.0 mt -62.38 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 0.0 110.908 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.89 78.91 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.977 HG23 HG13 ' A' ' 36' ' ' VAL . 12.8 p -119.06 150.87 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.9 146.69 18.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 55.0 91.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.564 HG22 ' CG1' ' A' ' 39' ' ' VAL . 40.8 t -132.65 124.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 40' ' ' VAL . 3.6 p -134.44 122.91 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.759 HG13 HG22 ' C' ' 41' ' ' ILE . 1.9 pp -140.4 151.0 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 1.096 ' OXT' ' HE2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.09 119.87 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -54.36 159.14 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -129.02 -72.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.27 111.51 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -102.42 88.74 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.958 HD12 HD22 ' B' ' 17' ' ' LEU . 3.0 tm? -95.03 114.86 26.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.637 HG13 ' HB ' ' B' ' 18' ' ' VAL . 29.3 t -139.78 135.96 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -105.09 -59.12 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.475 ' HE1' HG11 ' D' ' 24' ' ' VAL . 15.2 m-85 -144.32 152.78 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -112.62 -69.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.07 179.82 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 34.7 t0 58.99 78.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' D' ' 24' ' ' VAL . 65.5 t -137.54 145.47 29.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.88 -83.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.61 117.09 30.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -118.37 98.78 6.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 1.096 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 5.1 tptm -120.18 116.85 26.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.93 82.0 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.88 100.02 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.73 HG21 HG21 ' C' ' 39' ' ' VAL . 3.0 tp -122.21 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.765 HD11 HD11 ' C' ' 17' ' ' LEU . 2.1 tt -124.74 132.08 71.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.91 125.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.41 -44.48 82.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.575 ' SD ' HD23 ' L' ' 17' ' ' LEU . 1.1 tpt -113.66 59.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' D' ' 36' ' ' VAL . 6.3 p -98.0 144.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.13 141.6 12.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.67 86.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.486 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.73 HG21 HG21 ' C' ' 31' ' ' ILE . 6.0 p -125.68 121.34 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.503 ' HA ' HG13 ' D' ' 40' ' ' VAL . 4.1 p -126.82 119.86 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.759 HG22 HG13 ' B' ' 41' ' ' ILE . 15.5 pt -126.36 130.08 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.729 ' OXT' ' HE3' ' D' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.773 0.321 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -139.58 146.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -119.3 148.18 43.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -106.36 -70.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.07 105.36 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -98.02 114.66 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.719 ' CD1' HD11 ' D' ' 32' ' ' ILE . 0.1 OUTLIER -122.17 96.06 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.6 137.16 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -109.76 -36.06 6.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.64 156.09 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -117.82 -69.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -164.64 -179.63 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 46.6 t0 53.39 64.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.813 HG13 HG13 ' C' ' 24' ' ' VAL . 3.4 p -121.09 139.82 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.34 -102.17 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -113.27 127.43 56.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -119.07 101.31 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.729 ' HE3' ' OXT' ' C' ' 42' ' ' ALA . 1.0 OUTLIER -109.02 112.27 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' D' ' 41' ' ' ILE . . . 82.19 89.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.555 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.95 108.39 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.752 0.31 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.956 HG21 HG11 ' D' ' 39' ' ' VAL . 0.6 OUTLIER -122.95 121.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' D' ' 17' ' ' LEU . 1.5 tt -117.68 131.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.97 135.54 1.88 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.578 HD22 ' HG ' ' E' ' 34' ' ' LEU . 51.0 mt -73.01 -70.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.78 76.35 10.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.07 HG13 HG13 ' C' ' 36' ' ' VAL . 17.4 t -111.9 152.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.0 114.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.24 87.45 0.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.956 HG11 HG21 ' D' ' 31' ' ' ILE . 85.1 t -125.07 129.95 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.786 HG23 HG13 ' E' ' 40' ' ' VAL . 6.0 p -141.43 127.57 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.723 HD12 ' OXT' ' D' ' 42' ' ' ALA . 1.5 pp -131.81 140.0 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.723 ' OXT' HD12 ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.05 150.23 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -51.8 147.62 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.16 177.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.1 115.47 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.13 92.8 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.708 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.1 OUTLIER -102.28 98.84 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.98 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.55 144.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -108.67 -59.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.55 ' CE2' HG11 ' F' ' 24' ' ' VAL . 0.7 OUTLIER -138.84 148.52 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -108.92 -67.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.43 -176.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 51.62 65.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.658 HG13 ' CG1' ' F' ' 24' ' ' VAL . 93.8 t -120.14 139.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.17 -96.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.532 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.7 122.62 47.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -123.15 121.29 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.698 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 0.4 OUTLIER -128.81 130.7 47.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.55 100.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.96 107.58 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.721 0.296 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.82 HG21 HG11 ' E' ' 39' ' ' VAL . 17.1 tt -124.84 131.7 72.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.708 HD11 ' CD1' ' E' ' 17' ' ' LEU . 5.1 tt -125.24 121.05 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.21 124.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.578 ' HG ' HD22 ' D' ' 34' ' ' LEU . 45.4 mt -64.99 -69.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.602 ' HE3' ' HB2' ' O' ' 17' ' ' LEU . 1.3 ttt -91.9 83.1 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.617 HG23 HG13 ' F' ' 36' ' ' VAL . 16.4 m -130.12 168.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.39 143.99 11.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.41 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.68 103.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.82 HG11 HG21 ' E' ' 31' ' ' ILE . 26.4 t -141.64 108.65 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.786 HG13 HG23 ' D' ' 40' ' ' VAL . 2.5 p -118.18 116.32 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.953 HD11 HG23 ' F' ' 41' ' ' ILE . 1.7 pp -122.71 138.25 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.762 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.423 HG22 ' CE1' ' F' ' 13' ' ' HIS . 10.7 p -145.42 135.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.423 ' CE1' HG22 ' F' ' 12' ' ' VAL . 15.4 m80 51.59 62.33 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -153.1 171.15 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.77 127.26 53.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 99.12 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.824 HD12 HD11 ' F' ' 32' ' ' ILE . 0.1 OUTLIER -102.56 93.2 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.36 128.9 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.676 ' CZ ' ' HB1' ' F' ' 30' ' ' ALA . 2.5 t80 -92.53 -60.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.505 ' CZ ' HG21 ' G' ' 24' ' ' VAL . 0.2 OUTLIER -145.27 157.02 44.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -110.12 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -167.72 -177.31 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 53.24 52.5 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG13 ' E' ' 24' ' ' VAL . 7.4 p -107.86 144.32 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.71 -104.49 0.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.66 99.81 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.99 94.57 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -101.53 140.76 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.55 86.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.676 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -126.85 109.07 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.335 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.712 HG12 HD11 ' F' ' 41' ' ' ILE . 5.9 mm -121.21 118.32 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.824 HD11 HD12 ' F' ' 17' ' ' LEU . 10.9 tt -123.56 115.23 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.51 130.7 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.88 HD22 HD12 ' G' ' 34' ' ' LEU . 41.9 mt -65.1 -69.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.547 ' HG2' HD11 ' P' ' 34' ' ' LEU . 7.2 mmm -87.79 81.79 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' E' ' 36' ' ' VAL . 14.7 t -124.1 152.27 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.53 151.14 23.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.57 81.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.43 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' G' ' 39' ' ' VAL . 62.0 t -129.86 121.59 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 111.077 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' G' ' 40' ' ' VAL . 5.4 p -115.3 128.31 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.953 HG23 HD11 ' E' ' 41' ' ' ILE . 79.7 mt -120.5 128.68 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.769 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 m -111.98 142.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -143.18 112.46 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -148.87 174.32 12.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.69 114.32 27.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.43 95.53 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -100.35 94.74 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.31 133.87 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.757 ' CE1' HD13 ' G' ' 32' ' ' ILE . 11.7 m-30 -92.95 -70.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -130.38 156.44 44.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' F' ' 21' ' ' ALA . . . -110.4 -68.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -164.29 177.27 8.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 55.02 50.16 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.505 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 92.7 t -107.32 120.64 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -87.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -140.8 129.8 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -121.41 110.31 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -108.82 109.33 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.57 93.77 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' H' ' 30' ' ' ALA . . . -137.67 88.93 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.606 HD12 HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -105.11 128.67 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' H' ' 32' ' ' ILE . 2.9 mp -130.52 138.23 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.63 118.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.88 HD12 HD22 ' F' ' 34' ' ' LEU . 7.8 mt -50.76 -64.37 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.83 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.6 ' SD ' HD23 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -95.37 71.93 3.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.544 HG21 HD11 ' G' ' 31' ' ' ILE . 10.7 p -117.11 152.39 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.1 135.88 4.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.51 76.53 0.82 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' H' ' 39' ' ' VAL . 4.0 m -135.19 124.3 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.635 HG13 HG23 ' F' ' 40' ' ' VAL . 6.7 p -114.18 130.17 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.64 HG21 ' HA2' ' H' ' 29' ' ' GLY . 38.1 mm -116.88 133.89 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.769 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.54 135.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -134.76 76.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -95.39 173.38 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -104.32 102.95 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 100.0 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.807 HD11 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -104.14 95.71 6.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.58 131.83 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' H' ' 30' ' ' ALA . 11.8 t80 -93.36 -42.77 9.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -159.26 161.43 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -114.2 -69.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.35 178.88 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 51.83 66.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.35 108.0 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.69 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.83 132.61 45.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.99 0.424 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.38 100.98 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 119.38 38.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.64 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 74.18 92.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -127.9 98.77 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 0.0 111.054 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.668 HG12 HG21 ' H' ' 39' ' ' VAL . 1.4 tp -116.1 112.67 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.973 HG23 HG23 ' G' ' 32' ' ' ILE . 2.5 tt -125.87 126.95 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.043 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.3 123.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.84 HD23 HD23 ' G' ' 34' ' ' LEU . 4.6 mm? -51.09 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.537 ' SD ' HD23 ' Q' ' 17' ' ' LEU . 0.0 OUTLIER -80.29 58.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.637 HG13 HG23 ' I' ' 36' ' ' VAL . 10.4 p -86.88 152.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.94 102.58 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.59 80.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.797 HG23 HG23 ' G' ' 39' ' ' VAL . 5.4 p -141.15 130.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' I' ' 40' ' ' VAL . 3.5 p -127.73 114.94 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' I' ' 29' ' ' GLY . 2.5 pp -111.74 138.6 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.756 ' OXT' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.96 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -114.1 -55.5 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -176.47 140.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -84.5 63.3 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -91.01 96.3 10.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.603 ' CB ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -105.6 93.55 4.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.02 116.22 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 30.8 t80 -70.87 -45.42 64.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.22 169.09 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -112.93 -75.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.5 -178.29 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 58.34 53.26 6.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -118.98 120.42 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 52.0 p -100.26 140.04 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.74 95.14 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -90.9 113.63 25.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' H' ' 41' ' ' ILE . . . 69.35 104.03 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.637 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -137.87 122.26 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.552 HG21 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -137.62 144.12 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.234 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.69 HG21 HD12 ' H' ' 32' ' ' ILE . 2.1 tt -148.36 132.25 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.58 133.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' H' ' 34' ' ' LEU . 83.1 mt -66.18 -74.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.7 tpt -77.51 61.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.637 HG23 HG13 ' H' ' 36' ' ' VAL . 6.8 p -93.26 144.3 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.98 91.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.86 68.48 0.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.555 HG23 HG13 ' H' ' 39' ' ' VAL . 5.7 p -126.91 130.3 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.086 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.652 HG23 HG23 ' H' ' 40' ' ' VAL . 19.6 m -129.5 134.27 63.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.644 HG22 HD11 ' H' ' 41' ' ' ILE . 17.7 pt -120.28 130.31 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' OXT' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.888 0.375 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 m -99.17 47.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.42 149.8 30.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.0 38.08 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -118.5 130.29 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.4 131.02 27.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -128.6 140.08 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -132.34 143.13 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -108.85 -74.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.71 -179.81 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.79 -175.92 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.39 179.38 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 55.47 50.55 14.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.41 144.13 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 -83.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.47 114.07 18.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.19 128.79 46.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -144.24 143.31 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.26 70.56 1.28 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.518 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -113.55 126.38 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.518 HD13 ' O ' ' J' ' 30' ' ' ALA . 44.7 mm -139.72 110.43 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.063 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tt -118.88 130.41 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.31 108.67 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.82 135.6 55.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttm 59.26 60.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.41 ' O ' HG23 ' K' ' 36' ' ' VAL . 9.1 p -118.12 157.18 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.401 ' N ' HG22 ' J' ' 36' ' ' VAL . . . -124.58 148.39 16.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.2 99.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.482 HG13 HG21 ' J' ' 31' ' ' ILE . 19.8 t -141.78 109.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.656 HG23 HG13 ' K' ' 40' ' ' VAL . 6.4 p -121.69 137.27 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.492 HG21 ' HA2' ' K' ' 29' ' ' GLY . 50.4 mm -118.85 143.07 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.427 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.83 139.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -96.28 156.85 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -109.75 -67.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.32 108.22 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.03 150.93 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 17' ' ' LEU . 0.8 OUTLIER -142.51 121.76 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 51.9 t -117.39 130.02 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.454 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.6 t80 -95.11 -74.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' K' ' 24' ' ' VAL . 0.1 OUTLIER -117.99 163.17 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 -169.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -77.68 174.85 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 58.89 57.75 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' K' ' 20' ' ' PHE . 27.5 m -113.07 144.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.73 -101.56 2.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -89.13 107.72 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -124.15 107.4 11.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.798 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -120.77 135.35 55.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.492 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 75.36 98.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.454 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -137.33 97.98 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' L' ' 31' ' ' ILE . 5.3 mp -107.26 105.94 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' L' ' 32' ' ' ILE . 2.9 mp -112.33 118.51 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.06 122.79 0.68 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.43 HD22 ' HG ' ' L' ' 34' ' ' LEU . 8.7 mt -70.11 129.27 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.642 ' HE1' HD23 ' A' ' 17' ' ' LEU . 10.2 ttp 64.6 60.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.41 HG23 ' O ' ' J' ' 36' ' ' VAL . 7.6 p -110.53 142.68 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.01 155.27 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.395 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.43 70.49 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.699 HG11 HD12 ' L' ' 31' ' ' ILE . 46.4 t -117.28 123.84 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.656 HG13 HG23 ' J' ' 40' ' ' VAL . 6.0 p -135.17 131.94 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 62.8 mt -117.07 126.62 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.12 142.16 44.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -161.33 163.71 30.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -131.96 107.73 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.52 116.18 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.76 135.79 53.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' M' ' 17' ' ' LEU . 0.4 OUTLIER -121.59 91.02 3.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -93.76 135.26 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -102.42 -74.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.55 166.28 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' M' ' 21' ' ' ALA . . . -123.49 -169.62 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.3 178.18 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.54 44.28 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.653 ' HA ' HG13 ' M' ' 24' ' ' VAL . 7.6 p -109.83 139.02 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.88 -74.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.3 118.61 32.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -140.0 105.74 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -126.41 119.49 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.7 83.19 1.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -114.74 120.87 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.699 HD12 HG11 ' K' ' 39' ' ' VAL . 39.3 mm -132.8 118.94 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.667 HG23 ' HA ' ' K' ' 32' ' ' ILE . 2.6 tp -134.43 112.66 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.556 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -173.83 133.34 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.452 HD22 HD12 ' M' ' 34' ' ' LEU . 92.3 mt -76.92 124.26 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.465 ' CE ' HD23 ' B' ' 17' ' ' LEU . 5.7 ttt 61.55 60.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.556 HG13 ' O ' ' L' ' 33' ' ' GLY . 20.3 m -101.3 150.78 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.27 158.4 22.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 76.88 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -127.6 128.02 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.546 HG13 HG23 ' K' ' 40' ' ' VAL . 5.8 p -131.06 131.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.52 128.45 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 m -88.5 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -133.65 175.75 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -127.98 -71.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -94.24 114.43 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.66 111.83 14.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.734 ' HB3' HD22 ' L' ' 17' ' ' LEU . 0.3 OUTLIER -117.78 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.35 129.32 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 37.8 t80 -84.71 -46.77 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.71 165.82 25.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' L' ' 21' ' ' ALA . . . -121.14 -170.35 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.24 -177.06 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 52.31 59.74 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' L' ' 24' ' ' VAL . 7.3 p -118.14 144.26 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.32 -89.79 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -94.53 129.36 41.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -141.2 115.29 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -128.01 132.12 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.99 87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -127.88 115.14 18.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -133.62 127.82 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.457 HD12 HG21 ' N' ' 32' ' ' ILE . 3.2 tt -135.52 131.17 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.632 ' O ' HG13 ' M' ' 36' ' ' VAL . . . -177.52 133.89 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.452 HD12 HD22 ' L' ' 34' ' ' LEU . 82.6 mt -72.72 118.67 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttp 64.43 59.63 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' N' ' 36' ' ' VAL . 35.1 m -94.37 176.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.93 158.67 31.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 71.86 0.61 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.721 HG22 HG12 ' N' ' 39' ' ' VAL . 33.5 m -127.99 131.54 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' N' ' 40' ' ' VAL . 6.2 p -129.3 126.46 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.71 130.23 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.53 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.59 77.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -60.2 159.79 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -148.03 66.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 102.89 15.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -117.98 104.47 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 116.21 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.807 ' HB ' HG12 ' O' ' 18' ' ' VAL . 21.4 t -132.3 128.84 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -89.43 -54.28 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 167.72 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' C ' ' O' ' 21' ' ' ALA . . . -130.51 -179.38 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.05 178.4 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 55.9 71.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.63 145.42 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.5 -64.99 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -126.59 115.27 19.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -119.84 116.32 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -133.21 101.54 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.91 91.22 2.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.29 115.8 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -136.08 117.3 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.457 HG21 HD12 ' M' ' 32' ' ' ILE . 4.7 tt -125.46 120.84 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.12 122.35 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.23 117.8 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttt 64.67 63.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.636 HG23 HG23 ' M' ' 36' ' ' VAL . 5.3 p -101.62 143.8 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 126.83 4.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.439 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.55 75.77 1.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.744 HG22 HG12 ' O' ' 39' ' ' VAL . 17.7 m -130.34 134.25 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.418 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.562 HG23 HG13 ' O' ' 40' ' ' VAL . 3.4 p -139.5 120.39 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 1.163 HD13 ' O ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -120.74 143.12 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 1.163 ' O ' HD13 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.41 HG13 HG23 ' P' ' 12' ' ' VAL . 9.7 p -101.23 147.16 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -126.47 169.92 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.73 95.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -120.37 88.43 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.03 86.41 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -105.38 89.81 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.6 m -122.7 134.0 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' P' ' 32' ' ' ILE . 4.1 t80 -93.09 -74.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . 0.606 ' HE2' HG11 ' P' ' 24' ' ' VAL . 0.3 OUTLIER -89.22 158.44 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.423 ' C ' ' HB3' ' N' ' 21' ' ' ALA . . . -137.01 -179.02 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.2 165.26 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.24 80.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.595 HG12 ' HB ' ' P' ' 24' ' ' VAL . 2.6 m -139.35 85.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.96 -92.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.73 121.7 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -140.6 118.37 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -140.94 150.33 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' O' ' 41' ' ' ILE . . . 63.5 80.81 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.82 119.77 31.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.343 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.484 HD12 HD11 ' O' ' 41' ' ' ILE . 61.2 mt -140.06 124.65 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.445 HD12 HD12 ' P' ' 32' ' ' ILE . 4.7 tt -130.5 139.05 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.599 ' O ' HG13 ' O' ' 36' ' ' VAL . . . 174.5 134.1 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.903 HD22 HD12 ' P' ' 34' ' ' LEU . 73.6 mt -74.16 114.8 12.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.528 ' HB2' HD11 ' F' ' 34' ' ' LEU . 9.0 ttt 63.3 66.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.599 HG13 ' O ' ' O' ' 33' ' ' GLY . 9.1 m -94.03 170.15 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 145.37 12.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.03 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.744 HG12 HG22 ' N' ' 39' ' ' VAL . 15.4 m -126.1 134.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.562 HG13 HG23 ' N' ' 40' ' ' VAL . 6.3 p -136.45 128.96 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.663 HG23 ' CG2' ' N' ' 41' ' ' ILE . 38.6 mt -124.83 130.82 73.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.893 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.051 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.957 0.408 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.41 HG23 HG13 ' O' ' 12' ' ' VAL . 9.8 p -140.0 134.39 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -85.81 -58.79 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 54.62 44.04 29.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -91.84 115.81 28.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.49 87.81 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.828 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -103.49 91.89 4.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.798 HG13 HG23 ' O' ' 18' ' ' VAL . 39.1 t -123.47 130.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.44 -40.27 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.572 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 14.9 m-85 -133.49 154.6 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' Q' ' 21' ' ' ALA . . . -124.54 -47.11 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.47 176.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 53.45 57.96 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' O' ' 20' ' ' PHE . 21.4 t -107.91 77.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.78 -83.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.14 128.37 56.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -140.62 116.98 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -133.07 124.05 26.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.98 91.32 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.74 117.2 12.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -127.01 117.85 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.68 HG23 HG23 ' Q' ' 32' ' ' ILE . 31.1 mt -115.33 133.64 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.613 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 175.35 130.58 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.903 HD12 HD22 ' O' ' 34' ' ' LEU . 12.3 mt -75.16 117.11 16.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.517 ' HB2' HD11 ' G' ' 34' ' ' LEU . 3.9 ttm 63.79 63.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.613 HG13 ' O ' ' P' ' 33' ' ' GLY . 16.6 m -96.38 176.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.46 158.06 29.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 65.08 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.712 HG12 HG22 ' O' ' 39' ' ' VAL . 18.0 m -120.79 133.65 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.557 HG13 HG23 ' O' ' 40' ' ' VAL . 5.4 p -135.01 133.23 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.537 HD12 HD11 ' Q' ' 31' ' ' ILE . 60.7 mt -127.64 140.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.893 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 130.91 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -171.0 151.85 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -173.5 160.96 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -114.18 107.87 16.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.35 89.04 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.812 HD11 HD11 ' Q' ' 32' ' ' ILE . 0.2 OUTLIER -103.55 90.65 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -119.28 138.58 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -98.77 -35.86 10.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . 0.629 ' CE1' HG11 ' R' ' 24' ' ' VAL . 33.2 m-85 -149.12 142.17 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' R' ' 21' ' ' ALA . . . -108.78 -38.77 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.34 179.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 51.58 59.72 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' P' ' 20' ' ' PHE . 52.5 t -107.52 80.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -86.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.55 124.76 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -123.83 97.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -106.15 126.28 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.09 96.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.456 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.56 128.08 18.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.694 0.283 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.801 HD12 HD11 ' Q' ' 41' ' ' ILE . 2.7 mp -136.62 133.43 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.812 HD11 HD11 ' Q' ' 17' ' ' LEU . 3.0 tt -127.35 125.26 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . 0.663 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . -172.22 132.01 2.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' P' ' 34' ' ' LEU . 4.2 mm? -73.81 120.31 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.469 ' HE3' HD21 ' G' ' 34' ' ' LEU . 5.0 ttm 62.66 59.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.663 HG13 ' O ' ' Q' ' 33' ' ' GLY . 29.7 m -81.53 176.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.02 111.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.52 74.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.728 ' CG1' HD13 ' Q' ' 31' ' ' ILE . 52.2 t -128.08 121.98 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.536 HG13 HG23 ' P' ' 40' ' ' VAL . 6.4 p -125.05 122.77 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.801 HD11 HD12 ' Q' ' 31' ' ' ILE . 68.0 mt -116.84 138.55 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.565 ' HB3' ' C ' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -115.2 145.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.175 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -109.01 -74.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -107.91 163.94 12.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.82 104.62 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -102.07 104.79 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.768 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.3 OUTLIER -119.52 87.96 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -120.29 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -79.19 -36.27 40.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' R' ' 24' ' ' VAL . 17.0 m-85 -151.88 150.6 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -112.95 -38.7 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.49 179.58 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.09 56.38 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.629 HG11 ' CE1' ' Q' ' 20' ' ' PHE . 37.7 t -109.63 87.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.47 -102.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -93.5 137.74 32.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.59 101.26 4.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 124.32 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.48 95.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.29 113.36 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.763 0.316 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.77 HG21 HG21 ' R' ' 39' ' ' VAL . 5.0 tp -119.15 122.43 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.623 HG21 HD12 ' Q' ' 32' ' ' ILE . 0.0 OUTLIER -121.64 145.98 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . 0.461 ' N ' HD13 ' R' ' 32' ' ' ILE . . . 158.06 153.6 6.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.445 HD12 HD12 ' Q' ' 34' ' ' LEU . 95.9 mt -87.03 147.72 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.62 ' SD ' HD11 ' H' ' 34' ' ' LEU . 21.9 ptm 38.61 47.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.513 HG12 HG22 ' Q' ' 36' ' ' VAL . 32.8 m -74.35 -175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.11 164.31 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 67.91 1.81 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.77 HG21 HG21 ' R' ' 31' ' ' ILE . 13.6 p -128.95 144.42 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.508 HG23 HG23 ' Q' ' 40' ' ' VAL . 15.5 m -147.62 123.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 79.4 mt -112.51 136.1 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG11 ' OE1' ' B' ' 11' ' ' GLU . 28.8 m -129.27 174.63 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -75.27 149.55 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.477 ' O ' HG13 ' B' ' 12' ' ' VAL . 74.0 m-70 -108.97 -35.8 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.64 130.15 56.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' B' ' 12' ' ' VAL . 3.9 tptt -124.74 116.4 22.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.62 129.65 53.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -150.11 165.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -119.67 -36.2 3.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 147.49 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 -57.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 173.76 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 171.04 8.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' ASN . 21.5 t -145.02 150.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.62 -53.22 2.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.19 91.53 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.682 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.6 p30 -112.66 142.07 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.94 108.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 117.09 32.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -91.58 114.01 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 30' ' ' ALA . 42.5 mm -140.69 133.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 HG23 ' B' ' 32' ' ' ILE . 9.3 tt -130.64 128.58 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.95 -170.02 21.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.554 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.27 -45.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -123.45 53.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.684 ' O ' HG13 ' B' ' 36' ' ' VAL . 14.1 t -111.47 120.68 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.98 128.09 7.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.405 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 46.91 1.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG11 HD12 ' B' ' 31' ' ' ILE . 21.3 t -87.16 106.22 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 HG13 ' B' ' 40' ' ' VAL . 6.0 p -114.44 122.87 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.792 HD12 ' O ' ' A' ' 42' ' ' ALA . 1.1 pp -148.13 162.67 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.844 ' OXT' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.43 ' OE1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' HIS . 98.8 t -121.1 120.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -121.84 -34.26 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -50.94 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -113.34 116.94 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -115.98 135.68 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 32' ' ' ILE . 3.0 tm? -145.44 104.26 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' C' ' 18' ' ' VAL . 7.4 p -132.45 144.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.504 ' CE2' ' HB1' ' B' ' 30' ' ' ALA . 81.4 t80 -100.17 -36.02 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.14 143.19 30.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -116.76 -62.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.055 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.27 176.29 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -65.41 170.11 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.03 148.92 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 -70.34 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 t -115.49 101.03 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -112.35 101.7 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.844 ' NZ ' ' OXT' ' A' ' 42' ' ' ALA . 6.9 tttp -118.17 92.26 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 110.92 96.05 2.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.504 ' HB1' ' CE2' ' B' ' 19' ' ' PHE . . . -140.62 104.79 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.615 ' CG1' HD11 ' B' ' 41' ' ' ILE . 24.2 mm -126.59 120.99 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.771 HD12 HG21 ' C' ' 32' ' ' ILE . 2.0 tt -126.16 125.73 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.91 146.99 7.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.2 -74.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.487 ' HG3' HD12 ' L' ' 34' ' ' LEU . 9.0 mtp -87.97 73.6 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.684 HG13 ' O ' ' A' ' 36' ' ' VAL . 57.8 t -122.95 131.5 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.17 158.41 20.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.32 90.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.0 t -134.01 115.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.519 HG13 HG23 ' A' ' 40' ' ' VAL . 6.2 p -117.89 123.68 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 41' ' ' ILE . 50.1 mt -130.69 144.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.191 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.837 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.948 0.404 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.531 HG21 ' O ' ' D' ' 11' ' ' GLU . 13.3 p -106.95 136.67 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -132.92 97.56 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.61 ' CB ' HG22 ' D' ' 12' ' ' VAL . 15.6 m-70 -135.52 176.54 8.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.784 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -122.61 128.82 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.492 ' HD3' HG21 ' D' ' 12' ' ' VAL . 0.2 OUTLIER -130.65 116.58 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.616 ' CD2' HD11 ' C' ' 32' ' ' ILE . 0.3 OUTLIER -120.68 118.36 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.889 HG13 HG13 ' B' ' 18' ' ' VAL . 40.2 t -135.62 131.7 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.613 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 40.0 t80 -86.61 -35.76 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.97 152.01 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -123.68 -63.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.93 177.69 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.4 171.35 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' C' ' 27' ' ' ASN . 21.8 t -145.19 146.68 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.9 -78.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 87.52 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.634 ' HB2' HG11 ' C' ' 24' ' ' VAL . 7.8 t-20 -101.0 110.28 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' OXT' ' B' ' 42' ' ' ALA . 30.1 tttt -127.73 128.02 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.29 89.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -137.64 120.7 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.759 HD12 HD11 ' C' ' 41' ' ' ILE . 79.2 mt -138.67 141.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.771 HG21 HD12 ' B' ' 32' ' ' ILE . 11.7 tt -140.03 130.65 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.17 136.83 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.26 -72.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.702 ' HB2' HD13 ' L' ' 34' ' ' LEU . 0.0 OUTLIER -94.39 92.97 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' D' ' 36' ' ' VAL . 28.6 m -135.42 168.2 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.8 134.66 4.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.55 84.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.595 ' CG2' HG22 ' D' ' 39' ' ' VAL . 17.3 m -127.13 120.62 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.541 HG23 HG13 ' D' ' 40' ' ' VAL . 6.5 p -125.14 126.05 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.759 HD11 HD12 ' C' ' 31' ' ' ILE . 63.2 mt -129.24 138.08 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.704 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.531 ' O ' HG21 ' C' ' 12' ' ' VAL . 57.4 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.61 HG22 ' CB ' ' C' ' 14' ' ' HIS . 58.9 t -93.23 125.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -125.48 -36.81 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -108.19 109.72 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.88 92.11 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.47 HD12 HD11 ' D' ' 32' ' ' ILE . 0.2 OUTLIER -97.91 113.46 25.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.17 116.04 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.723 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 55.2 t80 -83.25 -35.74 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' E' ' 24' ' ' VAL . 4.4 m-85 -148.92 121.49 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -95.07 -65.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -175.33 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -71.12 177.43 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' C' ' 24' ' ' VAL . 94.7 t -144.27 142.37 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.94 -66.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.52 102.74 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.561 ' HB2' HG11 ' D' ' 24' ' ' VAL . 55.4 t30 -104.9 114.35 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -115.94 96.63 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 105.44 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.723 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -145.19 118.68 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.644 ' CG2' HG22 ' E' ' 31' ' ' ILE . 2.9 tp -134.06 127.17 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.705 HD12 HG21 ' E' ' 32' ' ' ILE . 1.8 tt -126.16 120.72 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.12 127.53 1.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.0 -63.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.421 ' HB2' HD13 ' M' ' 34' ' ' LEU . 0.2 OUTLIER -99.18 81.73 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.953 HG23 HG23 ' C' ' 36' ' ' VAL . 12.1 p -123.54 148.97 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.78 151.6 19.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 82.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.595 HG22 ' CG2' ' C' ' 39' ' ' VAL . 98.4 t -116.98 119.16 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.638 HG23 HG23 ' E' ' 40' ' ' VAL . 6.3 p -129.95 124.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.574 HG22 HG22 ' E' ' 41' ' ' ILE . 5.9 tp -126.9 136.94 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.73 ' OXT' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.68 47.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -83.27 119.44 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -69.26 -74.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.18 97.96 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 98.73 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.9 HD11 HD11 ' E' ' 32' ' ' ILE . 0.4 OUTLIER -104.73 105.19 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.432 HG23 HG23 ' F' ' 18' ' ' VAL . 4.8 m -128.53 119.6 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.678 ' CZ ' ' HB1' ' E' ' 30' ' ' ALA . 63.3 t80 -85.25 -36.03 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.92 106.86 3.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' D' ' 21' ' ' ALA . . . -80.83 -66.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -76.43 179.79 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.84 176.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.45 HG21 ' HE1' ' D' ' 20' ' ' PHE . 21.5 t -143.64 150.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.27 -73.07 1.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -135.48 113.15 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' E' ' 30' ' ' ALA . 3.5 t-20 -113.47 133.45 55.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.46 ' HE2' ' OXT' ' D' ' 42' ' ' ALA . 23.2 tptm -126.43 118.17 24.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.22 82.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.475 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.678 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -116.96 112.12 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.644 HG22 ' CG2' ' D' ' 31' ' ' ILE . 1.6 pp -122.88 138.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.9 HD11 HD11 ' E' ' 17' ' ' LEU . 2.7 tt -136.55 128.84 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.453 ' O ' HG12 ' E' ' 36' ' ' VAL . . . 176.01 129.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.405 HD22 HD12 ' F' ' 34' ' ' LEU . 59.6 mt -59.24 -58.31 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.578 ' HB2' HD13 ' N' ' 34' ' ' LEU . 0.0 OUTLIER -103.65 77.2 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.817 HG23 HG13 ' D' ' 36' ' ' VAL . 4.4 p -122.53 118.22 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.33 160.37 15.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.0 82.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.409 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -115.64 123.97 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.762 HG12 HG22 ' F' ' 40' ' ' VAL . 6.2 m -138.96 132.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.724 HD11 HG23 ' F' ' 41' ' ' ILE . 1.2 pp -136.83 143.67 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.738 ' OXT' ' HB3' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' F' ' 14' ' ' HIS . 11.9 p -77.1 -34.27 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 63.62 63.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' F' ' 12' ' ' VAL . 25.9 m170 -120.23 154.75 34.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -108.22 120.52 42.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -111.87 122.58 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.788 HD11 HD11 ' F' ' 32' ' ' ILE . 0.6 OUTLIER -133.85 102.17 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.93 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.58 HG13 HG23 ' G' ' 18' ' ' VAL . 2.9 p -127.1 130.22 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.184 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.591 ' HB2' HD13 ' F' ' 32' ' ' ILE . 52.6 t80 -89.96 -36.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -147.59 133.08 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' G' ' 21' ' ' ALA . . . -108.58 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.4 177.06 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -61.96 169.78 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -148.7 140.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.2 -88.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.57 123.15 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -123.89 99.0 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.75 101.74 13.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' E' ' 41' ' ' ILE . . . 74.39 118.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' F' ' 19' ' ' PHE . . . -149.07 125.57 10.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.666 HD11 HG13 ' G' ' 31' ' ' ILE . 1.8 pp -139.38 134.11 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.791 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -131.02 135.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.16 144.84 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' G' ' 34' ' ' LEU . 89.7 mt -67.77 -74.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.35 79.6 8.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.657 HG13 HG13 ' E' ' 36' ' ' VAL . 11.4 t -120.6 108.35 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.84 144.81 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.51 98.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.593 HG11 HG12 ' F' ' 31' ' ' ILE . 21.3 t -134.97 111.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.762 HG22 HG12 ' E' ' 40' ' ' VAL . 32.6 m -114.62 123.24 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.724 HG23 HD11 ' E' ' 41' ' ' ILE . 71.4 mt -116.07 122.58 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.738 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -116.81 170.13 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -132.02 134.07 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.94 -175.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 121.38 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.66 97.34 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.2 OUTLIER -107.29 111.87 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' H' ' 18' ' ' VAL . 2.8 p -129.54 136.68 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.672 ' HB2' HD13 ' G' ' 32' ' ' ILE . 78.2 t80 -91.94 -35.27 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.61 129.0 10.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' F' ' 21' ' ' ALA . . . -107.65 -45.05 4.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.47 173.24 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.14 156.98 26.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.14 145.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.11 -69.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.1 t -143.4 105.6 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.632 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 24.6 t-20 -93.54 125.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -109.83 98.96 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.645 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 73.32 92.41 0.12 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.543 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.632 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -115.37 116.22 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' G' ' 39' ' ' VAL . 1.2 tt -128.99 120.27 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.843 HD12 HG21 ' H' ' 32' ' ' ILE . 1.4 tt -124.07 121.1 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 147.05 8.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' F' ' 34' ' ' LEU . 4.5 mm? -77.29 -72.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.426 ' SD ' HD12 ' P' ' 17' ' ' LEU . 0.0 OUTLIER -81.59 74.61 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -102.52 151.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.89 113.47 0.69 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.24 97.1 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.72 HG21 HG21 ' G' ' 31' ' ' ILE . 5.8 p -128.39 121.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.979 0.418 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.8 100.44 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.699 HG21 ' HA2' ' H' ' 29' ' ' GLY . 79.4 mt -94.58 94.32 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.6 ' HA ' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 m -124.92 66.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -138.11 156.25 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -56.67 -61.18 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.34 122.02 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 95.72 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.536 HD22 HD11 ' H' ' 32' ' ' ILE . 0.3 OUTLIER -102.71 128.18 49.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.778 HG13 HG13 ' G' ' 18' ' ' VAL . 34.1 t -140.54 123.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' HB1' ' H' ' 30' ' ' ALA . 80.9 t80 -78.05 -35.87 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.54 118.5 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.43 -35.56 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -175.17 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -86.04 166.45 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.06 145.4 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.91 -76.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -115.49 105.65 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -100.04 116.35 31.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -106.84 97.0 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.699 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.35 109.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -131.14 111.06 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.99 HG21 HG11 ' H' ' 39' ' ' VAL . 1.0 OUTLIER -130.67 124.11 56.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.843 HG21 HD12 ' G' ' 32' ' ' ILE . 1.7 tt -127.08 122.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.43 156.44 20.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' R' ' 34' ' ' LEU . 60.8 mt -91.17 -70.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.05 57.72 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' I' ' 36' ' ' VAL . 19.6 m -91.78 167.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.63 117.42 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.1 94.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.99 HG11 HG21 ' H' ' 31' ' ' ILE . 22.3 t -125.71 118.9 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.74 105.91 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.745 HG21 ' HA2' ' I' ' 29' ' ' GLY . 50.5 mm -96.47 92.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.51 148.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -93.29 -45.75 7.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -67.91 138.69 56.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -135.58 101.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 127.8 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.468 HD21 HD11 ' I' ' 32' ' ' ILE . 0.6 OUTLIER -131.26 124.69 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.41 ' N ' HD23 ' I' ' 17' ' ' LEU . 6.7 p -140.27 122.97 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.669 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 31.4 t80 -74.57 -36.18 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.04 106.27 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.25 -40.14 31.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -86.26 -177.15 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -90.12 161.66 15.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.17 132.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.69 -88.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -94.67 92.94 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.67 ' OD1' ' HB2' ' I' ' 30' ' ' ALA . 27.2 t-20 -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -106.09 99.48 9.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.745 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 81.46 93.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.511 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' OD1' ' I' ' 27' ' ' ASN . . . -114.98 108.32 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.877 HG23 HG23 ' H' ' 31' ' ' ILE . 2.4 mp -132.65 132.26 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.755 HG21 HD12 ' H' ' 32' ' ' ILE . 7.1 tp -135.08 125.5 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.538 ' C ' HD22 ' I' ' 34' ' ' LEU . . . 179.8 -177.49 48.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.538 HD22 ' C ' ' I' ' 33' ' ' GLY . 4.5 mm? -123.88 -74.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.77 ' HE2' HD23 ' R' ' 17' ' ' LEU . 29.7 mmm -76.68 73.26 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.808 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.795 HG23 HG23 ' H' ' 36' ' ' VAL . 14.7 p -112.88 147.8 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.41 88.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.2 109.18 3.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.02 139.75 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.9 126.9 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.499 HG23 ' HA3' ' I' ' 29' ' ' GLY . 26.8 mt -110.3 93.77 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.064 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -120.6 41.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.202 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -87.64 70.54 9.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -119.86 -74.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.83 120.78 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.67 123.58 28.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.706 ' HB2' HD22 ' K' ' 17' ' ' LEU . 0.9 OUTLIER -122.74 144.2 49.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.578 ' H ' HD23 ' K' ' 17' ' ' LEU . 55.9 t -134.83 139.68 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' J' ' 32' ' ' ILE . 3.9 t80 -109.28 -61.27 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -122.38 -179.72 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.488 ' HB3' ' C ' ' K' ' 21' ' ' ALA . . . -141.84 179.01 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.18 174.01 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 54.91 50.25 15.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -76.32 143.25 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.76 -87.19 1.69 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.551 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -122.42 97.33 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -109.49 124.56 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -137.47 117.88 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.34 74.67 1.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.475 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.62 93.2 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.633 HG21 HG13 ' J' ' 39' ' ' VAL . 41.6 mm -109.15 108.23 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' J' ' 19' ' ' PHE . 6.4 tt -111.69 119.88 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.18 111.51 0.44 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.622 HD12 HD23 ' K' ' 34' ' ' LEU . 1.8 mm? -80.48 120.2 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.65 64.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.662 ' H ' HG12 ' K' ' 36' ' ' VAL . 18.7 m -129.28 159.64 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.03 157.33 15.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.0 87.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.633 HG13 HG21 ' J' ' 31' ' ' ILE . 21.4 t -126.05 111.77 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.619 HG23 HG13 ' K' ' 40' ' ' VAL . 5.4 p -134.73 122.61 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.454 HG22 HD11 ' K' ' 31' ' ' ILE . 10.7 tp -137.55 142.64 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.402 ' C ' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 m -115.33 46.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.92 122.11 31.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -52.73 -40.3 62.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 126.11 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.37 132.33 53.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' J' ' 17' ' ' LEU . 0.2 OUTLIER -125.24 126.65 45.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -125.47 123.32 64.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.696 ' CD2' HD12 ' L' ' 32' ' ' ILE . 1.3 t80 -92.27 -61.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.84 179.53 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -136.99 -169.76 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -72.97 163.14 28.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 63.36 54.0 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.06 135.12 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.1 -103.08 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 55.4 m -111.85 86.43 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -94.19 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -118.28 101.09 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.57 92.3 2.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.69 102.62 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.454 HD11 HG22 ' J' ' 41' ' ' ILE . 67.5 mt -121.34 131.2 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.587 HD11 HD11 ' K' ' 17' ' ' LEU . 17.4 tt -129.89 127.54 63.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.59 114.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.622 HD23 HD12 ' J' ' 34' ' ' LEU . 2.7 mm? -75.99 127.72 33.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.777 0.322 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.5 tpp 60.94 67.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.662 HG12 ' H ' ' J' ' 36' ' ' VAL . 34.2 m -115.59 -175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.88 121.85 1.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.92 87.47 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.37 123.25 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.619 HG13 HG23 ' J' ' 40' ' ' VAL . 4.5 p -133.88 127.88 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.25 140.68 48.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.93 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.628 HG13 ' CD2' ' L' ' 13' ' ' HIS . 7.3 p -123.28 -35.49 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.628 ' CD2' HG13 ' L' ' 12' ' ' VAL . 6.9 m170 -65.9 96.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -124.64 -173.96 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -122.27 142.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -148.78 130.9 15.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.507 HD11 ' CG ' ' K' ' 17' ' ' LEU . 1.2 pp -126.91 117.86 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' M' ' 18' ' ' VAL . 82.2 t -113.08 109.68 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -77.62 -60.39 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.533 ' HE2' HG21 ' M' ' 24' ' ' VAL . 0.1 OUTLIER -118.37 171.44 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' K' ' 21' ' ' ALA . . . -130.85 -171.4 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.9 159.08 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 54.64 74.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.67 141.87 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.98 -117.07 3.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -106.96 107.48 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.96 137.47 45.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -144.48 104.75 4.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.84 85.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.45 112.77 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.415 HG13 HD11 ' L' ' 41' ' ' ILE . 67.7 mt -126.17 126.08 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.696 HD12 ' CD2' ' K' ' 19' ' ' PHE . 41.1 mt -121.39 108.76 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.532 ' O ' HG13 ' L' ' 36' ' ' VAL . . . -158.59 108.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' C' ' 35' ' ' MET . 16.2 mt -74.66 124.07 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.611 ' SD ' HD12 ' C' ' 17' ' ' LEU . 5.6 ttt 64.65 68.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.575 ' H ' HG12 ' M' ' 36' ' ' VAL . 17.4 m -114.22 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.5 117.36 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.61 83.66 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.45 143.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.635 HG23 HG13 ' M' ' 40' ' ' VAL . 5.7 p -148.71 133.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.801 ' HB ' HG22 ' M' ' 41' ' ' ILE . 54.9 mt -131.73 136.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.93 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -98.83 135.69 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -141.66 145.26 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -81.07 -36.7 30.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -113.77 103.36 11.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -115.5 141.14 48.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.883 HD12 HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -143.33 103.39 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' L' ' 18' ' ' VAL . 19.9 t -114.81 151.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' N' ' 32' ' ' ILE . 17.6 m-85 -116.08 -75.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -98.25 159.3 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.546 ' C ' ' HB3' ' L' ' 21' ' ' ALA . . . -126.58 -170.23 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.97 153.71 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.61 91.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' L' ' 20' ' ' PHE . 52.8 t -117.13 140.81 38.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.93 -76.32 1.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.98 110.58 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.364 . . . . 0.0 110.818 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -117.56 117.92 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -122.63 116.68 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.566 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.09 100.81 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 61.3 mt -117.52 126.95 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.635 HD12 ' N ' ' M' ' 33' ' ' GLY . 0.2 OUTLIER -123.9 120.84 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.635 ' N ' HD12 ' M' ' 32' ' ' ILE . . . -160.6 109.9 0.42 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.548 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.469 HD22 HD12 ' N' ' 34' ' ' LEU . 77.8 mt -70.11 115.79 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 2.1 ttp 65.76 70.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.663 HG22 HG12 ' N' ' 36' ' ' VAL . 15.9 m -112.54 -171.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.09 113.03 0.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.63 93.63 0.97 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.846 HG22 HG12 ' N' ' 39' ' ' VAL . 18.7 m -146.62 134.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.704 HG23 HG13 ' N' ' 40' ' ' VAL . 4.0 p -132.9 140.92 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.801 HG22 ' HB ' ' L' ' 41' ' ' ILE . 4.7 pt -139.26 135.75 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.914 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.11 36.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -90.66 138.58 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.85 110.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.54 109.42 21.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -125.19 144.24 50.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.883 HD22 HD12 ' M' ' 17' ' ' LEU . 0.4 OUTLIER -138.13 123.48 19.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -124.16 131.99 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.494 ' CE2' ' HB1' ' N' ' 30' ' ' ALA . 78.0 t80 -93.12 -43.97 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.537 ' HE1' HG23 ' N' ' 24' ' ' VAL . 0.2 OUTLIER -139.14 165.38 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.17 -169.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HB3' ' M' ' 21' ' ' ALA . 23.4 pt-20 -74.63 171.63 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 57.09 49.52 13.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.537 HG23 ' HE1' ' N' ' 20' ' ' PHE . 4.6 p -92.47 136.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.25 -127.28 4.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.91 94.1 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.92 121.48 44.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -122.26 139.28 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 76.58 91.77 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CE2' ' N' ' 19' ' ' PHE . . . -138.5 105.14 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.598 ' HB ' HG23 ' O' ' 31' ' ' ILE . 20.0 mt -121.18 120.21 61.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.733 HG21 ' CE2' ' M' ' 19' ' ' PHE . 0.9 OUTLIER -121.93 131.22 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.501 ' O ' HG13 ' N' ' 36' ' ' VAL . . . 177.93 121.61 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.578 HD13 ' HB2' ' E' ' 35' ' ' MET . 18.9 mt -73.37 129.32 37.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.75 ' HE1' HD23 ' E' ' 17' ' ' LEU . 0.1 OUTLIER 62.45 54.72 2.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' O' ' 36' ' ' VAL . 29.1 m -101.86 -179.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.08 155.2 24.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.31 73.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.846 HG12 HG22 ' M' ' 39' ' ' VAL . 12.6 m -128.92 136.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.704 HG13 HG23 ' M' ' 40' ' ' VAL . 3.4 p -136.76 124.13 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.486 HD13 ' C ' ' N' ' 42' ' ' ALA . 0.0 OUTLIER -121.08 144.25 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 1.017 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t 57.22 65.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -144.49 119.91 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -177.59 -175.85 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -116.77 107.48 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 149.46 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.945 HD21 HD11 ' O' ' 32' ' ' ILE . 0.9 OUTLIER -134.03 120.71 20.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.503 HG13 HG23 ' P' ' 18' ' ' VAL . 6.4 p -117.73 132.62 67.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.638 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 43.9 t80 -94.43 -35.62 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.44 142.32 29.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.42 -169.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.92 -174.92 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 54.46 56.42 6.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' P' ' 24' ' ' VAL . 76.6 t -103.57 144.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.74 -74.91 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.02 134.66 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -141.04 141.64 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -145.81 118.2 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.8 87.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.726 ' O ' HD13 ' O' ' 31' ' ' ILE . . . -136.61 119.11 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.726 HD13 ' O ' ' O' ' 30' ' ' ALA . 10.5 mm -129.88 132.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.945 HD11 HD21 ' O' ' 17' ' ' LEU . 3.2 tt -130.72 119.5 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.427 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.93 119.27 10.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 1.7 ttt 66.9 70.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.841 HG23 HG23 ' N' ' 36' ' ' VAL . 10.1 p -108.13 153.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.19 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.09 103.82 0.36 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.8 82.7 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.681 HG13 HG23 ' P' ' 39' ' ' VAL . 2.6 p -140.13 133.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.63 HG23 HG13 ' P' ' 40' ' ' VAL . 6.3 p -133.85 132.57 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.758 HD11 HD11 ' P' ' 31' ' ' ILE . 37.8 mt -118.73 130.71 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 1.017 ' HB3' ' OXT' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.93 0.395 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.72 144.11 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -142.09 106.43 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 54.77 61.48 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -112.23 108.76 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.36 136.58 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.426 HD12 ' SD ' ' G' ' 35' ' ' MET . 0.2 OUTLIER -126.41 108.99 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.503 HG23 HG13 ' O' ' 18' ' ' VAL . 6.2 p -112.43 129.35 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.805 ' HB2' HD12 ' P' ' 32' ' ' ILE . 41.2 t80 -91.7 -43.33 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' Q' ' 24' ' ' VAL . 0.3 OUTLIER -137.32 127.41 26.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' C ' ' Q' ' 21' ' ' ALA . . . -79.75 -169.76 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -86.41 179.18 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.19 45.25 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.526 ' CG1' HG13 ' O' ' 24' ' ' VAL . 14.4 p -95.01 140.59 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.24 -85.03 1.51 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.35 102.93 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.807 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.76 117.39 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 122.26 39.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.07 98.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' P' ' 19' ' ' PHE . . . -140.51 128.27 21.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.758 HD11 HD11 ' O' ' 41' ' ' ILE . 34.3 mm -133.62 117.93 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' P' ' 19' ' ' PHE . 7.8 tt -119.63 123.18 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.601 ' O ' HG13 ' P' ' 36' ' ' VAL . . . 177.89 127.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 38.1 mt -71.34 120.88 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' G' ' 17' ' ' LEU . 1.4 tmm? 65.35 68.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.601 HG13 ' O ' ' P' ' 33' ' ' GLY . 29.1 m -109.66 160.57 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.43 162.02 28.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.19 71.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.683 ' CG1' HG12 ' Q' ' 39' ' ' VAL . 4.8 p -134.45 124.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.63 HG13 HG23 ' O' ' 40' ' ' VAL . 4.9 p -127.58 122.14 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.569 HD12 HD11 ' Q' ' 31' ' ' ILE . 56.6 mt -112.47 137.5 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.211 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.687 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.88 94.18 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -123.68 36.12 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -50.71 147.46 4.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 91.49 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.25 112.43 21.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 123.29 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.561 HG13 HG23 ' R' ' 18' ' ' VAL . 6.0 p -132.33 121.17 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' Q' ' 30' ' ' ALA . 63.6 t80 -83.61 -43.0 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.76 136.26 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.448 ' C ' ' HB3' ' P' ' 21' ' ' ALA . . . -90.5 -174.45 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -72.22 -176.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.56 59.46 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' P' ' 20' ' ' PHE . 94.9 t -101.17 144.1 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.63 -71.3 1.04 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.0 133.19 16.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.66 149.05 41.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -142.75 108.41 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 83.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.51 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.705 ' O ' HD13 ' Q' ' 31' ' ' ILE . . . -121.24 129.52 53.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.705 HD13 ' O ' ' Q' ' 30' ' ' ALA . 5.0 mm -127.18 132.47 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.431 HD13 ' N ' ' Q' ' 33' ' ' GLY . 0.0 OUTLIER -133.84 140.71 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . 0.431 ' N ' HD13 ' Q' ' 32' ' ' ILE . . . 149.37 130.79 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' R' ' 34' ' ' LEU . 7.7 mt -65.47 136.0 55.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttt 64.1 43.44 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.566 HG23 ' CG2' ' P' ' 36' ' ' VAL . 6.2 p -86.23 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.88 175.91 23.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.441 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.76 56.4 11.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.683 HG12 ' CG1' ' P' ' 39' ' ' VAL . 22.1 m -118.94 133.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.655 HG23 HG13 ' R' ' 40' ' ' VAL . 5.6 p -137.52 121.21 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.645 HD12 HD11 ' R' ' 31' ' ' ILE . 33.7 mt -108.47 139.19 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 1.172 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.66 43.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -108.8 150.36 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -51.92 132.38 32.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -80.12 60.79 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.17 78.31 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.77 HD23 ' HE2' ' I' ' 35' ' ' MET . 0.4 OUTLIER -82.35 106.73 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.561 HG23 HG13 ' Q' ' 18' ' ' VAL . 7.6 p -121.8 136.73 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' R' ' 32' ' ' ILE . 4.6 t80 -97.62 -66.7 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.05 123.07 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 -176.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.49 173.79 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 62.78 55.03 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -107.61 131.8 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.68 -110.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 25.4 t -102.49 114.9 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.89 121.33 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -118.8 131.18 56.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . 0.569 ' HA2' HD13 ' Q' ' 41' ' ' ILE . . . 60.19 91.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.513 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.23 124.59 16.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.645 HD11 HD12 ' Q' ' 41' ' ' ILE . 2.6 mp -134.07 132.79 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' R' ' 19' ' ' PHE . 16.2 tt -129.27 147.62 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . 0.682 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 163.65 133.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.585 HD11 ' HG2' ' I' ' 35' ' ' MET . 4.0 mm? -67.0 121.12 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' I' ' 17' ' ' LEU . 0.0 OUTLIER 63.61 62.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.682 HG13 ' O ' ' R' ' 33' ' ' GLY . 17.0 m -74.05 -177.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.82 105.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.49 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.645 HG12 HG22 ' Q' ' 39' ' ' VAL . 25.0 m -125.61 134.25 67.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.655 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.3 p -139.68 140.84 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.554 HG22 HD12 ' Q' ' 41' ' ' ILE . 1.3 pp -132.33 139.85 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 1.172 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.914 0.388 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.58 -35.73 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -99.17 131.5 45.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.24 49.81 1.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.19 144.47 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -138.11 104.71 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.946 HD23 HD13 ' B' ' 17' ' ' LEU . 2.4 tm? -109.4 107.91 18.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.787 HG22 HG12 ' B' ' 18' ' ' VAL . 17.1 m -123.67 163.03 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.01 -64.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -133.87 177.69 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . -140.43 -58.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.04 -178.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 51.76 52.57 14.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.38 123.45 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.11 -89.88 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -129.21 82.84 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.48 105.3 17.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -126.14 132.42 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.71 33.3 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.83 117.33 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 31' ' ' ILE . 10.0 tp -140.9 135.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.592 HD12 HG21 ' B' ' 32' ' ' ILE . 1.9 tt -131.62 124.82 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.18 114.49 0.62 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' B' ' 34' ' ' LEU . 4.2 mm? -55.43 -44.67 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' HE1' ' B' ' 35' ' ' MET . 2.5 tmm? -136.33 76.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.34 135.45 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.37 150.78 18.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.36 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.779 HG11 HD12 ' B' ' 31' ' ' ILE . 21.9 t -136.27 134.06 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 7.4 p -135.1 127.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.0 mt -118.52 144.11 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.813 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.04 147.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -153.68 176.88 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -52.1 -59.2 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.92 91.65 7.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -99.55 111.52 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.946 HD13 HD23 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -122.71 113.22 18.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.787 HG12 HG22 ' A' ' 18' ' ' VAL . 14.5 m -137.06 146.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' HB1' ' B' ' 30' ' ' ALA . 2.4 t80 -111.56 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CE2' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -146.45 176.91 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -137.15 -64.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -169.48 -178.84 3.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 51.41 60.17 4.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.454 HG22 ' CE2' ' B' ' 20' ' ' PHE . 21.8 t -104.77 132.93 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -114.54 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -107.06 101.91 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.54 121.23 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -130.09 91.61 3.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.21 97.32 2.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.532 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HB3' ' C' ' 30' ' ' ALA . . . -142.88 100.96 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.779 HD12 HG11 ' A' ' 39' ' ' VAL . 2.6 tt -122.58 126.56 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' C' ' 32' ' ' ILE . 1.7 tt -125.82 120.51 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.78 114.55 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.595 HD12 HD12 ' A' ' 34' ' ' LEU . 41.9 mt -50.86 -34.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.623 ' HE1' HD23 ' J' ' 17' ' ' LEU . 6.5 ttt -144.85 98.61 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' C' ' 36' ' ' VAL . 33.9 m -135.21 164.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.64 145.28 17.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.24 88.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.525 HG11 HG21 ' B' ' 31' ' ' ILE . 58.0 t -124.6 118.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -124.8 123.72 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.873 HD13 ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER -120.24 143.32 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.873 ' O ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' D' ' 11' ' ' GLU . 11.0 m -148.15 136.04 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.9 -179.14 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -66.64 -59.84 3.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.26 111.98 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -108.86 79.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.707 HD11 HD11 ' C' ' 32' ' ' ILE . 0.7 OUTLIER -91.7 96.32 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.646 HG13 ' CG2' ' B' ' 18' ' ' VAL . 99.5 t -122.06 130.9 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.47 -67.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.488 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -136.47 -179.26 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -135.51 -65.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -172.09 -179.41 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 52.31 62.77 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.616 HG13 ' CG2' ' D' ' 24' ' ' VAL . 94.7 t -113.37 129.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.225 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 -68.43 1.64 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.36 121.51 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -115.3 95.15 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -108.59 125.44 51.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.44 79.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.451 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . -120.83 112.7 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.651 HG23 ' HA ' ' D' ' 31' ' ' ILE . 1.3 tp -132.63 114.16 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' B' ' 32' ' ' ILE . 6.0 tt -123.59 141.84 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.95 125.2 0.92 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' L' ' 35' ' ' MET . 18.2 mt -51.87 -39.66 59.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.847 ' HE1' HD12 ' L' ' 17' ' ' LEU . 1.1 ptp -141.69 91.17 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.727 HG23 HG23 ' B' ' 36' ' ' VAL . 6.3 p -126.6 138.09 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.32 155.11 16.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.32 87.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.709 HG13 HG13 ' D' ' 39' ' ' VAL . 6.0 p -131.16 144.3 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.579 HG13 HG23 ' B' ' 40' ' ' VAL . 6.0 p -154.06 136.54 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.515 HG22 HG22 ' B' ' 41' ' ' ILE . 1.3 pp -124.4 147.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.842 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.557 ' HA ' HG21 ' C' ' 12' ' ' VAL . 8.2 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.62 124.09 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -113.36 158.25 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -101.05 -75.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -113.26 120.7 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.62 106.46 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.615 ' HB3' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -111.23 97.72 6.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.32 133.07 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' D' ' 32' ' ' ILE . 14.8 m-30 -87.65 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -138.21 -176.65 4.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -134.4 -65.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' HB1' ' D' ' 21' ' ' ALA . 0.1 OUTLIER -170.99 178.61 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.1 45.49 27.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.616 ' CG2' HG13 ' C' ' 24' ' ' VAL . 34.3 m -100.77 147.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -106.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -127.87 115.07 18.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.89 121.26 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -116.53 106.53 13.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.454 ' HA3' HG23 ' D' ' 41' ' ' ILE . . . 78.35 94.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.09 97.61 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.919 HG21 HG11 ' D' ' 39' ' ' VAL . 2.2 tp -108.04 120.06 58.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.798 HG21 ' CE1' ' D' ' 19' ' ' PHE . 2.6 mm -125.71 128.77 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.88 124.22 1.02 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.705 HD22 HD12 ' E' ' 34' ' ' LEU . 22.7 mt -51.46 -34.86 37.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.524 ' SD ' HD21 ' M' ' 34' ' ' LEU . 0.0 OUTLIER -141.6 102.14 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.686 ' CG2' HG13 ' E' ' 36' ' ' VAL . 17.2 m -137.6 160.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.42 151.08 22.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.07 88.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.919 HG11 HG21 ' D' ' 31' ' ' ILE . 25.2 t -125.38 112.24 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 t -105.86 105.47 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.804 HG21 ' HA2' ' E' ' 29' ' ' GLY . 51.1 mm -98.73 109.9 25.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.463 ' HA ' ' HB3' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.69 75.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -69.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 51.33 63.56 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.12 83.59 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -84.31 114.31 21.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -121.56 92.46 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.16 128.94 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' E' ' 32' ' ' ILE . 32.6 t80 -93.14 -32.65 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.541 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -163.48 157.32 19.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -117.54 -70.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -159.72 -175.01 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 48.62 70.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.0 t -116.86 148.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.211 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.92 -111.64 3.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.419 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.16 110.55 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -97.8 123.27 41.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -121.07 99.25 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.804 ' HA2' HG21 ' D' ' 41' ' ' ILE . . . 85.32 85.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' E' ' 19' ' ' PHE . . . -113.31 106.95 15.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.702 0.287 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.638 HG13 HD11 ' E' ' 41' ' ' ILE . 2.0 mm -114.03 122.29 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.741 HD11 ' CE2' ' E' ' 19' ' ' PHE . 4.8 mp -130.61 110.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' E' ' 36' ' ' VAL . . . -165.29 135.46 3.73 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.705 HD12 HD22 ' D' ' 34' ' ' LEU . 27.4 mt -66.79 -44.33 81.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.407 ' HB2' HD11 ' N' ' 34' ' ' LEU . 18.5 mtp -121.87 75.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.686 HG13 ' CG2' ' D' ' 36' ' ' VAL . 1.4 t -98.52 167.24 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.446 ' H ' HG12 ' E' ' 36' ' ' VAL . . . -164.06 137.96 5.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.74 90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.902 HG22 HG12 ' F' ' 39' ' ' VAL . 18.6 m -138.69 135.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.614 HG22 ' CG2' ' F' ' 40' ' ' VAL . 71.6 t -120.83 116.16 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.79 HG21 ' HA2' ' F' ' 29' ' ' GLY . 23.9 mm -96.81 105.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.463 HG23 HG13 ' G' ' 12' ' ' VAL . 7.1 p -175.31 142.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -133.21 84.12 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.77 -47.72 64.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.03 96.56 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -97.78 79.65 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' G' ' 17' ' ' LEU . 0.1 OUTLIER -94.2 99.31 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.485 ' HB ' HG12 ' G' ' 18' ' ' VAL . 40.6 t -132.9 133.16 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.53 ' HE1' ' HB1' ' F' ' 30' ' ' ALA . 9.9 t80 -95.36 -48.19 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -143.79 143.43 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' G' ' 21' ' ' ALA . . . -105.88 -71.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.23 -175.0 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 48.15 70.09 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' E' ' 20' ' ' PHE . 86.9 t -122.96 140.21 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.6 -98.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.03 128.46 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -112.57 99.51 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.03 79.59 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.79 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 94.11 114.77 2.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.53 ' HB1' ' HE1' ' F' ' 19' ' ' PHE . . . -145.75 121.68 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.724 0.297 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.703 HD11 HG13 ' E' ' 41' ' ' ILE . 3.0 mt -136.41 130.33 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 2.0 tt -128.53 125.97 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.04 125.74 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.706 HD12 HD22 ' G' ' 34' ' ' LEU . 4.3 mm? -58.58 -35.95 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -138.25 96.74 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.984 HG22 HG12 ' G' ' 36' ' ' VAL . 22.9 m -128.06 165.68 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.43 127.18 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.01 76.88 1.07 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.902 HG12 HG22 ' E' ' 39' ' ' VAL . 17.5 m -133.02 134.8 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.0 111.05 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.614 ' CG2' HG22 ' E' ' 40' ' ' VAL . 14.0 m -129.54 127.25 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' G' ' 29' ' ' GLY . 45.3 mt -108.01 132.07 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' OXT' ' E' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.463 HG13 HG23 ' F' ' 12' ' ' VAL . 12.4 p -128.06 147.04 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -169.17 108.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -54.19 49.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.49 110.99 13.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.5 116.86 32.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.4 OUTLIER -121.8 90.08 3.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' H' ' 18' ' ' VAL . 5.5 m -119.81 122.8 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.414 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 86.9 t80 -86.75 -35.85 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.48 ' CD1' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -154.27 151.77 29.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' H' ' 21' ' ' ALA . . . -119.17 -78.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -143.01 174.76 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.02 62.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' G' ' 20' ' ' PHE . 20.1 t -113.22 85.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.73 -88.34 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.57 135.64 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.713 HD22 ' HB2' ' G' ' 30' ' ' ALA . 0.8 OUTLIER -122.96 103.63 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -91.81 101.26 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' F' ' 41' ' ' ILE . . . 73.05 99.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.713 ' HB2' HD22 ' G' ' 27' ' ' ASN . . . -124.54 118.16 25.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.796 HG21 HG11 ' G' ' 39' ' ' VAL . 3.7 tp -134.09 123.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.671 HD11 HD11 ' G' ' 17' ' ' LEU . 10.7 tt -127.42 128.9 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.35 125.05 1.01 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 HD12 ' F' ' 34' ' ' LEU . 8.1 mp -51.9 -57.66 8.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.523 ' HE1' HD23 ' O' ' 17' ' ' LEU . 11.1 ptm -114.31 87.3 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' H' ' 36' ' ' VAL . 14.1 m -109.52 167.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.78 121.66 1.08 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.8 86.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.796 HG11 HG21 ' G' ' 31' ' ' ILE . 48.2 t -132.32 130.23 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -115.68 135.08 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.824 HG21 ' HA2' ' H' ' 29' ' ' GLY . 86.7 mt -125.02 94.0 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.818 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.951 0.405 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.496 HG12 ' ND1' ' I' ' 14' ' ' HIS . 7.3 m -51.69 118.62 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.21 -177.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.71 -170.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.94 106.11 11.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 105.66 15.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -114.98 93.71 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.569 HG23 HG23 ' G' ' 18' ' ' VAL . 5.2 p -125.57 135.53 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' H' ' 32' ' ' ILE . 12.9 t80 -97.5 -33.82 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -156.19 155.62 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.747 ' O ' ' HB3' ' G' ' 21' ' ' ALA . . . -125.01 -57.59 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -160.64 -177.77 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 46.96 50.13 14.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' G' ' 20' ' ' PHE . 17.1 t -109.5 89.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -94.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.464 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.43 149.24 41.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.7 110.23 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.55 103.19 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 80.62 95.76 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CZ ' ' H' ' 19' ' ' PHE . . . -120.33 105.54 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.497 HG12 HD11 ' G' ' 41' ' ' ILE . 27.4 mt -115.61 115.48 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.658 HD11 ' CD2' ' H' ' 19' ' ' PHE . 43.9 mm -119.88 96.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.12 125.88 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.599 HD22 HD13 ' I' ' 34' ' ' LEU . 59.3 mt -61.63 -70.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.77 ' HG3' HD21 ' Q' ' 34' ' ' LEU . 0.1 OUTLIER -91.28 84.08 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.997 HG23 HG23 ' G' ' 36' ' ' VAL . 10.6 p -110.07 152.04 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.11 104.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.49 87.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.424 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.785 HG22 HG12 ' I' ' 39' ' ' VAL . 35.5 m -143.66 139.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.553 HG23 HG13 ' I' ' 40' ' ' VAL . 6.5 p -130.4 130.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.696 HD12 HG22 ' I' ' 41' ' ' ILE . 61.8 mt -114.32 136.32 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' I' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -51.61 133.96 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.15 -178.5 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.496 ' ND1' HG12 ' H' ' 12' ' ' VAL . 50.5 m80 -128.72 154.95 45.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -131.51 107.55 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.54 86.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' R' ' 35' ' ' MET . 0.2 OUTLIER -99.99 97.43 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.463 HG23 HG13 ' H' ' 18' ' ' VAL . 4.2 p -129.7 117.26 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.492 ' CZ ' ' HB1' ' I' ' 30' ' ' ALA . 77.8 t80 -79.07 -42.35 26.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -156.58 168.43 27.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' H' ' 21' ' ' ALA . . . -136.07 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -166.67 177.45 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.11 71.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -134.18 95.54 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.98 -83.11 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -131.3 136.35 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.66 153.13 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 129.46 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.87 78.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' I' ' 19' ' ' PHE . . . -110.79 98.43 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 61.2 mt -114.99 125.34 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.458 HG21 HD11 ' I' ' 17' ' ' LEU . 48.9 mm -126.76 115.29 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.567 ' O ' HG13 ' I' ' 36' ' ' VAL . . . -170.83 125.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.599 HD13 HD22 ' H' ' 34' ' ' LEU . 4.7 mp -63.02 -61.95 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 54.2 mtp -95.27 77.52 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.7 HG12 HG12 ' H' ' 36' ' ' VAL . 26.8 m -95.64 158.83 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 102.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.27 66.22 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.785 HG12 HG22 ' H' ' 39' ' ' VAL . 19.4 m -120.33 135.66 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.553 HG13 HG23 ' H' ' 40' ' ' VAL . 6.8 p -135.19 124.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.696 HG22 HD12 ' H' ' 41' ' ' ILE . 18.3 pt -112.69 130.75 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.81 91.96 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.25 -71.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -70.69 -38.77 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.04 124.62 28.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 72.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.811 HD22 ' HB3' ' K' ' 17' ' ' LEU . 0.2 OUTLIER -87.49 104.52 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.66 126.93 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -87.0 -71.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -66.03 -177.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -152.11 -74.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.9 153.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 57.1 t0 51.4 51.5 16.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -83.96 65.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.52 -79.78 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 116.25 32.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -127.12 85.38 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -95.29 130.1 42.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.04 102.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.01 106.5 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.738 HD13 ' CG1' ' J' ' 39' ' ' VAL . 4.4 mt -121.18 125.2 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.404 HG23 ' O ' ' J' ' 32' ' ' ILE . 3.5 tt -128.74 123.34 59.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.2 131.6 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' K' ' 34' ' ' LEU . 1.5 mt -78.14 -46.43 20.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.1 76.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.742 HG22 HG12 ' K' ' 36' ' ' VAL . 33.5 m -122.62 170.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.66 -119.68 3.85 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.01 130.04 38.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.738 ' CG1' HD13 ' J' ' 31' ' ' ILE . 25.6 t -131.62 99.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.586 HG23 ' CG1' ' K' ' 40' ' ' VAL . 6.3 p -109.25 125.19 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -135.33 140.51 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.668 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -165.25 141.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 57.03 36.33 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.9 -36.69 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.3 104.91 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -103.35 114.2 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.811 ' HB3' HD22 ' J' ' 17' ' ' LEU . 0.3 OUTLIER -120.9 87.59 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.55 124.66 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.486 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.5 t80 -91.8 -74.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -76.34 175.95 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.441 ' O ' HG23 ' K' ' 24' ' ' VAL . . . -141.12 -172.49 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -88.26 152.15 22.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 64.06 49.43 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.687 ' HA ' HG23 ' L' ' 24' ' ' VAL . 93.9 t -92.78 84.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.16 -83.73 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -114.41 127.85 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -138.18 117.48 12.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -120.1 131.9 55.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.57 92.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -128.25 121.32 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -138.38 133.18 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.701 HD12 HG21 ' L' ' 32' ' ' ILE . 2.0 tt -136.15 131.3 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.57 134.79 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.623 HD23 HD23 ' J' ' 34' ' ' LEU . 4.4 mm? -78.94 -38.11 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.335 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ttp -126.9 83.0 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.89 HG22 HG12 ' L' ' 36' ' ' VAL . 17.5 m -120.9 176.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 -121.44 3.1 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.9 125.17 6.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.467 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.799 HG22 HG12 ' L' ' 39' ' ' VAL . 18.1 m -131.41 135.94 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.595 HG23 HG13 ' L' ' 40' ' ' VAL . 5.5 p -127.22 135.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.45 130.84 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.969 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.56 HG13 HG22 ' M' ' 12' ' ' VAL . 61.5 t -92.9 128.2 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -128.2 118.06 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.05 -50.03 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.57 119.65 34.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -133.53 103.78 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.847 HD12 ' HE1' ' C' ' 35' ' ' MET . 0.3 OUTLIER -114.38 123.03 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.407 HG12 ' O ' ' L' ' 20' ' ' PHE . 32.7 t -130.82 123.91 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 23.6 t80 -80.82 -74.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' O ' HG12 ' L' ' 18' ' ' VAL . 2.9 m-85 -75.12 170.66 15.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.47 -172.45 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.86 152.54 31.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.88 55.89 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.687 HG23 ' HA ' ' K' ' 24' ' ' VAL . 5.7 m -109.77 84.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -98.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.92 125.55 30.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -138.26 91.3 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -100.71 135.33 42.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.04 94.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -133.63 116.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.312 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -133.23 127.26 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.701 HG21 HD12 ' K' ' 32' ' ' ILE . 3.6 tt -128.07 132.06 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.71 130.91 1.57 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' M' ' 34' ' ' LEU . 4.5 mm? -73.58 -38.18 65.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.722 ' HG3' HD11 ' C' ' 34' ' ' LEU . 0.1 OUTLIER -124.93 85.88 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.89 HG12 HG22 ' K' ' 36' ' ' VAL . 17.2 m -122.87 154.45 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.3 -98.44 0.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 141.84 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.849 HG22 HG12 ' M' ' 39' ' ' VAL . 13.6 m -139.04 137.12 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.66 HG23 HG13 ' M' ' 40' ' ' VAL . 5.3 p -133.54 128.88 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -120.66 136.13 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.56 HG22 HG13 ' L' ' 12' ' ' VAL . 20.5 m -109.75 164.4 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -136.78 70.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -62.37 -74.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.74 101.3 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -106.66 99.15 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.734 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.17 101.02 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -121.81 123.99 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.647 ' HB2' HD12 ' M' ' 32' ' ' ILE . 38.2 t80 -86.6 -75.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.95 173.53 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' N' ' 21' ' ' ALA . . . -150.06 -173.29 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.84 162.17 28.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.13 87.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.28 102.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.48 -89.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -111.2 126.41 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 115.73 15.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -119.25 131.42 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.06 0.64 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -123.21 112.43 17.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 111.08 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' N' ' 31' ' ' ILE . 41.3 mm -122.34 114.74 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' M' ' 19' ' ' PHE . 9.8 tt -120.36 121.33 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.14 131.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.455 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.639 HD12 HD12 ' L' ' 34' ' ' LEU . 91.4 mt -65.7 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.529 ' SD ' HD11 ' D' ' 34' ' ' LEU . 2.7 mtp -95.48 94.99 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.678 HG22 HG12 ' N' ' 36' ' ' VAL . 18.9 m -124.59 170.42 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.9 -110.28 3.28 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.48 120.89 6.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.849 HG12 HG22 ' L' ' 39' ' ' VAL . 16.7 m -123.75 135.09 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 7.2 p -131.88 138.05 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.445 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -127.09 133.51 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.773 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' N' ' 12' ' ' VAL . 6.4 p -128.89 122.71 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -145.6 139.9 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -164.35 104.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -98.03 102.72 14.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 121.7 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.2 OUTLIER -134.39 99.61 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.641 HG13 HG23 ' O' ' 18' ' ' VAL . 7.3 p -124.57 126.65 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -84.09 -69.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' M' ' 21' ' ' ALA . 12.2 m-85 -82.55 165.86 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.507 ' O ' ' HB1' ' M' ' 21' ' ' ALA . . . -134.33 -75.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -163.67 174.22 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.98 43.13 30.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -86.99 81.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -88.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.78 111.56 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.31 118.19 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.567 ' NZ ' ' OXT' ' M' ' 42' ' ' ALA . 0.1 OUTLIER -119.89 114.87 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.445 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 88.61 85.55 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.452 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.21 126.64 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.691 HD13 HG21 ' M' ' 39' ' ' VAL . 18.8 mt -140.05 134.69 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.599 HD12 HG21 ' O' ' 32' ' ' ILE . 2.0 tt -130.64 133.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.6 125.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.599 HD12 HD22 ' M' ' 34' ' ' LEU . 49.8 mt -57.61 -65.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.559 ' CG ' HD11 ' E' ' 34' ' ' LEU . 3.2 mtp -99.2 89.22 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.78 HG22 HG12 ' O' ' 36' ' ' VAL . 22.1 m -115.12 141.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.5 -97.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.84 139.04 15.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.769 HG12 HG22 ' M' ' 39' ' ' VAL . 12.8 m -134.34 137.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 4.3 p -139.45 118.83 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.426 HD11 HD11 ' O' ' 31' ' ' ILE . 58.4 mt -111.84 139.64 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.773 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.61 132.99 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -61.13 165.28 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -61.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 101.37 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -102.64 92.87 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.785 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.2 OUTLIER -100.02 97.13 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.641 HG23 HG13 ' N' ' 18' ' ' VAL . 6.2 p -123.24 126.71 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -86.07 -74.03 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -78.99 159.2 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.58 -61.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 51.94 46.42 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.44 73.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.41 -88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -111.74 130.53 55.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.86 127.73 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -124.29 117.46 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.71 104.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.81 114.8 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.426 HD11 HD11 ' N' ' 41' ' ' ILE . 27.5 mm -123.73 123.28 66.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.825 HD12 HG21 ' P' ' 32' ' ' ILE . 1.1 tt -120.91 128.34 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.26 129.54 1.17 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.531 HD12 HD22 ' N' ' 34' ' ' LEU . 51.1 mt -59.67 -60.99 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 19.3 mtp -97.62 76.08 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.78 HG12 HG22 ' N' ' 36' ' ' VAL . 14.8 m -104.53 137.06 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.05 -129.0 2.64 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.16 118.75 8.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.721 HG13 HG23 ' P' ' 39' ' ' VAL . 2.4 p -126.55 124.94 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.789 HG23 HG13 ' P' ' 40' ' ' VAL . 9.9 p -126.17 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.402 HD11 HD11 ' P' ' 31' ' ' ILE . 62.8 mt -128.41 133.28 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.777 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.28 109.22 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -158.15 107.93 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -151.75 162.82 40.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 117.09 23.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.31 100.96 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.1 OUTLIER -97.97 99.05 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' Q' ' 18' ' ' VAL . 7.3 p -116.16 123.63 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' P' ' 32' ' ' ILE . 44.0 t80 -82.41 -71.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.412 ' HE1' HG11 ' Q' ' 24' ' ' VAL . 3.5 m-85 -90.12 162.08 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.3 -58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.51 173.69 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 54.75 45.37 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.24 67.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -88.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.65 113.15 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.962 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -112.68 97.83 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -98.39 107.2 19.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.55 101.11 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.15 116.8 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.693 HD12 HG21 ' O' ' 39' ' ' VAL . 38.6 mm -133.29 113.69 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.825 HG21 HD12 ' O' ' 32' ' ' ILE . 12.2 tt -121.74 120.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.97 120.66 0.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.474 ' HB3' HD23 ' G' ' 34' ' ' LEU . 34.3 mt -54.19 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.447 ' SD ' HD11 ' F' ' 34' ' ' LEU . 5.0 mtp -84.75 86.15 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.709 ' CG1' HG12 ' Q' ' 36' ' ' VAL . 6.3 p -121.71 122.18 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 -120.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.63 124.0 6.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.721 HG23 HG13 ' O' ' 39' ' ' VAL . 5.1 p -132.28 122.0 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.365 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.789 HG13 HG23 ' O' ' 40' ' ' VAL . 3.1 p -127.02 114.55 37.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' Q' ' 29' ' ' GLY . 0.0 OUTLIER -120.23 142.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.777 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.51 129.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -172.31 145.5 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -58.37 -177.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 113.77 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.05 98.69 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.2 OUTLIER -90.97 96.49 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.651 ' HB ' HG12 ' R' ' 18' ' ' VAL . 20.2 t -108.14 127.69 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.534 ' CD1' HG21 ' R' ' 32' ' ' ILE . 16.8 t80 -87.64 -52.24 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.57 154.27 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.39 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -175.09 177.38 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 57.21 38.01 28.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.412 HG11 ' HE1' ' P' ' 20' ' ' PHE . 21.8 t -86.85 66.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.95 -93.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.419 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -110.56 108.57 18.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.45 130.75 55.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . 0.438 ' HG2' HD11 ' Q' ' 41' ' ' ILE . 14.3 ttpt -123.62 109.37 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' P' ' 41' ' ' ILE . . . 88.69 69.63 1.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -103.75 92.36 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.564 HD13 ' CG2' ' P' ' 31' ' ' ILE . 1.4 tp -116.48 124.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.554 HD12 HG21 ' R' ' 32' ' ' ILE . 6.1 tt -131.37 135.05 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . 0.534 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 179.67 128.22 1.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.77 HD21 ' HG3' ' H' ' 35' ' ' MET . 6.9 mp -61.33 -35.53 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.545 ' HE1' HD23 ' G' ' 17' ' ' LEU . 56.3 mtp -118.42 65.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.709 HG12 ' CG1' ' P' ' 36' ' ' VAL . 27.8 m -93.28 138.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.64 -111.87 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.83 107.21 3.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.928 HG22 HG12 ' R' ' 39' ' ' VAL . 4.5 m -115.34 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.357 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' R' ' 40' ' ' VAL . 4.3 p -138.19 126.17 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.729 HD12 ' N ' ' Q' ' 42' ' ' ALA . 0.3 OUTLIER -120.65 129.53 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.729 ' N ' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.12 123.79 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -143.31 -178.13 5.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -52.07 156.24 1.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.03 -172.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.3 106.82 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.5 OUTLIER -90.43 88.77 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.651 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 12.8 m -103.78 115.1 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.711 ' CD2' HD13 ' R' ' 32' ' ' ILE . 39.9 t80 -72.78 -59.61 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -98.66 150.46 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 -56.73 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.71 -178.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 51.84 56.17 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.95 68.28 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 -102.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.92 103.21 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.39 120.23 41.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -107.01 87.95 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.39 94.93 2.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.53 106.07 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.41 HD12 ' N ' ' R' ' 32' ' ' ILE . 1.5 tp -126.78 118.0 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.711 HD13 ' CD2' ' R' ' 19' ' ' PHE . 7.5 tp -128.26 146.27 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 143.73 3.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.659 HD12 ' HG ' ' Q' ' 34' ' ' LEU . 81.7 mt -63.85 -74.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.694 ' CE ' HD23 ' I' ' 17' ' ' LEU . 35.4 mmm -83.91 75.15 10.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' Q' ' 36' ' ' VAL . 12.5 p -95.3 131.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.42 -124.42 4.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.03 129.29 23.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.928 HG12 HG22 ' Q' ' 39' ' ' VAL . 15.9 m -143.65 136.56 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.705 HG23 HG23 ' Q' ' 40' ' ' VAL . 6.4 m -137.52 136.72 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -125.38 145.18 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.969 0.414 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -140.59 143.01 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -55.14 137.91 45.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.792 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -132.03 36.29 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.88 121.29 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -126.77 135.33 50.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' K' ' 35' ' ' MET . 1.4 pp -131.62 137.37 48.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' HB ' HG12 ' B' ' 18' ' ' VAL . 43.4 t -144.52 147.43 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -94.38 -55.34 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.32 132.02 14.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.57 -75.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 159.92 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -57.73 136.7 56.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.07 134.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.13 1.29 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -125.03 86.16 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -100.52 89.19 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -104.73 142.9 33.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.68 89.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.448 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.572 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -131.85 136.6 47.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 30' ' ' ALA . 35.6 mm -137.22 123.9 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD12 HG21 ' B' ' 32' ' ' ILE . 2.9 tt -132.83 121.04 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.13 137.84 3.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' HG ' ' B' ' 34' ' ' LEU . 2.6 mm? -78.02 132.16 37.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp 60.51 69.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 36' ' ' VAL . 21.4 t -129.12 138.81 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.86 164.44 22.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.17 80.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.437 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' B' ' 39' ' ' VAL . 21.9 t -127.09 145.18 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG23 HG13 ' B' ' 40' ' ' VAL . 6.4 p -149.98 132.69 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 40' ' ' VAL . 28.9 mm -137.31 146.21 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.768 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.92 0.391 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t 54.13 70.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -90.55 155.81 18.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -111.38 -56.04 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.43 122.66 40.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 126.96 35.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.853 HD11 HD11 ' B' ' 32' ' ' ILE . 3.1 tm? -132.56 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' C' ' 18' ' ' VAL . 5.9 m -123.76 144.0 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -103.66 -42.55 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' C' ' 24' ' ' VAL . 6.4 m-85 -138.4 140.01 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' C' ' 21' ' ' ALA . . . -115.28 -61.84 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.36 179.61 6.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -63.99 134.6 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.4 149.45 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.59 -98.26 1.4 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 5.3 m -98.61 86.42 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.04 107.69 20.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.73 127.17 53.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.78 88.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.16 116.23 22.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.4 HG13 HG11 ' B' ' 39' ' ' VAL . 26.3 mm -118.91 138.81 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.853 HD11 HD11 ' B' ' 17' ' ' LEU . 7.0 tt -146.85 126.27 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.04 137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.594 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.6 mt -78.1 143.01 37.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttt 63.29 49.56 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 36' ' ' VAL . 96.3 t -110.99 135.07 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.74 168.45 24.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.11 80.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 39' ' ' VAL . 51.0 t -137.98 126.01 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 111.086 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.604 HG13 HG23 ' A' ' 40' ' ' VAL . 7.4 p -116.6 125.85 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.455 ' HB ' HD13 ' C' ' 41' ' ' ILE . 36.5 mm -128.69 134.09 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.768 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.559 HG23 ' O ' ' D' ' 12' ' ' VAL . 7.2 p -164.25 123.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -66.73 153.24 43.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -106.33 -68.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -101.74 105.76 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 120.06 39.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.71 HD13 HD23 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -130.3 119.84 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.687 HG23 HG23 ' B' ' 18' ' ' VAL . 5.4 p -139.62 136.34 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.669 ' CZ ' ' HB1' ' C' ' 30' ' ' ALA . 39.5 t80 -91.81 -43.43 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.668 ' CE1' HG22 ' C' ' 24' ' ' VAL . 0.2 OUTLIER -139.66 151.39 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . -124.33 -71.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.31 178.3 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.41 173.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.668 HG22 ' CE1' ' C' ' 20' ' ' PHE . 19.2 t -139.48 151.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.93 -90.0 1.98 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 t -114.13 99.81 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -111.09 112.58 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -119.01 98.22 6.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 98.89 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.669 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -140.9 110.16 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' D' ' 31' ' ' ILE . 3.5 tt -119.51 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.437 HG23 ' O ' ' C' ' 32' ' ' ILE . 5.6 tt -140.61 116.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.28 128.49 1.37 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 1.028 HD22 HD12 ' D' ' 34' ' ' LEU . 4.0 mt -72.98 139.91 47.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.506 ' HB2' HD21 ' L' ' 34' ' ' LEU . 0.0 OUTLIER 61.72 62.8 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' D' ' 36' ' ' VAL . 27.9 m -118.13 150.57 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.2 164.87 27.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.39 68.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.62 HG13 HG23 ' D' ' 39' ' ' VAL . 6.6 p -124.49 131.05 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.215 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.574 HG23 HG13 ' D' ' 40' ' ' VAL . 7.1 p -132.95 124.48 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.584 HG23 ' CG1' ' D' ' 41' ' ' ILE . 3.5 tp -128.51 137.83 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 1.036 ' OXT' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.172 -0.442 . . . . 0.0 111.106 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.984 0.421 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.559 ' O ' HG23 ' C' ' 12' ' ' VAL . 27.6 m -142.45 135.81 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -134.71 159.3 41.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -64.45 -70.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.66 107.63 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -116.51 97.02 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' M' ' 35' ' ' MET . 0.2 OUTLIER -107.15 114.71 28.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.677 HG23 HG13 ' C' ' 18' ' ' VAL . 5.3 p -136.63 131.34 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' D' ' 30' ' ' ALA . 19.5 t80 -89.71 -35.77 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -143.56 128.98 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' C' ' 21' ' ' ALA . . . -104.74 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 -178.08 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.0 121.95 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.542 HG13 ' HB ' ' E' ' 24' ' ' VAL . 86.2 t -86.61 134.68 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.34 -75.71 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -129.6 111.53 12.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -114.43 116.77 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -112.44 110.74 21.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.424 ' HA3' HG13 ' D' ' 41' ' ' ILE . . . 65.5 110.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' D' ' 19' ' ' PHE . . . -148.45 129.72 14.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.734 HG22 HG22 ' C' ' 31' ' ' ILE . 1.5 pp -131.49 138.12 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.427 HG21 HD12 ' C' ' 32' ' ' ILE . 0.0 OUTLIER -134.56 134.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.109 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.73 132.71 1.39 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 1.028 HD12 HD22 ' C' ' 34' ' ' LEU . 0.6 OUTLIER -74.1 143.09 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.875 ' HE2' HD21 ' M' ' 34' ' ' LEU . 21.1 tpp 64.57 50.04 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.837 HG23 HG23 ' C' ' 36' ' ' VAL . 3.6 p -109.09 131.17 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.03 169.12 21.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.68 67.55 1.86 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.546 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.784 HG13 HG23 ' E' ' 39' ' ' VAL . 4.5 p -124.77 119.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 40' ' ' VAL . 6.2 p -120.82 130.7 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' E' ' 41' ' ' ILE . 0.0 OUTLIER -133.92 141.99 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 1.036 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.562 HG21 ' O ' ' F' ' 12' ' ' VAL . 7.8 p -166.61 145.41 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -75.51 -175.45 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -129.44 -70.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.55 95.3 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' E' ' 18' ' ' VAL . 24.6 tptt -98.78 93.54 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -103.02 94.95 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.596 HG13 HG13 ' D' ' 18' ' ' VAL . 21.9 t -120.44 131.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -90.99 -35.74 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' E' ' 24' ' ' VAL . 0.2 OUTLIER -149.23 125.74 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' F' ' 21' ' ' ALA . . . -102.75 -52.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -179.79 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -54.9 174.48 0.07 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' E' ' 20' ' ' PHE . 20.3 t -138.64 149.71 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 -82.5 1.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 13.3 m -139.24 97.64 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -92.39 128.68 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' E' ' 42' ' ' ALA . 2.4 tttt -118.35 106.42 12.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.89 84.52 0.29 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.75 110.16 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.046 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.699 ' CD1' HG11 ' D' ' 39' ' ' VAL . 2.1 tt -119.4 122.95 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -129.62 130.5 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.84 142.66 3.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.799 HD23 HD23 ' D' ' 34' ' ' LEU . 3.4 mm? -82.65 133.99 35.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.592 ' SD ' HD23 ' N' ' 17' ' ' LEU . 4.5 ttp 60.35 69.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.672 HG23 HG13 ' F' ' 36' ' ' VAL . 11.1 m -117.71 177.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.28 172.31 45.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.04 64.8 3.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.784 HG23 HG13 ' D' ' 39' ' ' VAL . 4.2 p -126.34 137.91 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 40' ' ' VAL . 3.0 p -140.76 113.71 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.638 HG22 HG22 ' D' ' 41' ' ' ILE . 1.2 pp -115.9 144.28 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 1.019 ' HB3' ' OXT' ' D' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.562 ' O ' HG21 ' E' ' 12' ' ' VAL . 22.0 t 56.29 65.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -84.38 139.55 32.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -79.65 -74.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.69 112.03 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -114.03 91.19 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.674 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.5 OUTLIER -102.75 88.91 3.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.677 HG12 HG22 ' G' ' 18' ' ' VAL . 10.1 p -117.38 138.15 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -98.87 -34.02 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -146.09 125.12 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' E' ' 21' ' ' ALA . . . -112.6 -35.5 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.26 -179.54 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.51 170.11 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.26 145.14 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.11 -84.65 1.21 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -126.78 120.93 30.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.722 ' ND2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -106.71 131.5 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -123.97 119.1 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.36 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . . . -115.41 113.4 23.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.329 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.759 HG21 HG11 ' F' ' 39' ' ' VAL . 1.1 tt -124.49 134.37 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.47 ' HA ' HG23 ' G' ' 32' ' ' ILE . 0.0 OUTLIER -134.38 128.14 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.09 143.96 4.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.45 142.18 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.453 ' HE1' HD23 ' O' ' 17' ' ' LEU . 0.5 OUTLIER 59.35 68.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.672 HG13 HG23 ' E' ' 36' ' ' VAL . 11.0 t -113.83 154.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.12 125.0 1.75 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.81 67.9 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.759 HG11 HG21 ' F' ' 31' ' ' ILE . 61.3 t -122.65 111.89 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.846 HG12 HG22 ' G' ' 40' ' ' VAL . 7.0 m -116.55 135.68 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.748 HD12 ' OXT' ' F' ' 42' ' ' ALA . 2.0 pp -141.21 136.83 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.748 ' OXT' HD12 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.714 HG23 ' CE1' ' H' ' 14' ' ' HIS . 6.0 p -156.52 121.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -151.77 115.73 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.74 94.24 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -96.28 106.09 18.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.3 OUTLIER -117.5 88.44 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.677 HG22 HG12 ' F' ' 18' ' ' VAL . 62.0 t -116.22 130.41 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -85.93 -38.14 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.3 OUTLIER -149.11 129.19 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.51 -35.66 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -178.53 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.34 171.28 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' G' ' 20' ' ' PHE . 21.4 t -144.28 150.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.93 -83.48 1.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.98 102.48 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' G' ' 30' ' ' ALA . 25.6 t-20 -91.95 91.96 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -84.12 95.48 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.32 119.23 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' G' ' 27' ' ' ASN . . . -143.07 122.18 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.57 HG13 HD11 ' G' ' 41' ' ' ILE . 24.5 mt -128.93 121.23 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.639 HD12 HG21 ' H' ' 32' ' ' ILE . 2.4 tt -124.42 121.59 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.67 134.55 1.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mt -83.53 146.36 28.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.67 ' CE ' HD11 ' O' ' 34' ' ' LEU . 12.6 ttp 64.31 44.99 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.626 ' H ' HG22 ' H' ' 36' ' ' VAL . 79.0 t -105.86 144.99 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.97 132.68 3.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.23 81.15 1.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.65 HG23 HG23 ' H' ' 39' ' ' VAL . 21.9 m -149.05 142.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.846 HG22 HG12 ' F' ' 40' ' ' VAL . 27.8 m -131.35 131.37 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.74 HG23 HD11 ' F' ' 41' ' ' ILE . 10.3 mt -121.45 127.64 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.5 ' HB3' ' C ' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.937 0.399 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -126.22 123.54 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -54.36 142.97 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.714 ' CE1' HG23 ' G' ' 12' ' ' VAL . 39.8 m80 -137.64 -175.66 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.72 104.54 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.86 82.38 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.688 HD12 HD11 ' H' ' 32' ' ' ILE . 0.2 OUTLIER -93.41 96.6 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -127.65 120.68 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.755 ' HB2' HD12 ' H' ' 32' ' ' ILE . 14.4 t80 -76.17 -36.06 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.39 114.84 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.36 -44.61 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.51 175.19 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.84 164.15 8.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -142.36 144.25 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.77 -80.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 64.3 m -120.67 104.81 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -92.29 123.86 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.52 109.12 17.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.34 101.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.514 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -116.73 118.32 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.687 HD11 HD12 ' G' ' 41' ' ' ILE . 35.6 mm -128.78 118.05 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.755 HD12 ' HB2' ' H' ' 19' ' ' PHE . 12.8 tt -129.05 127.88 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.79 149.2 5.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' Q' ' 34' ' ' LEU . 7.4 mt -84.54 161.67 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.345 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.498 ' SD ' HD11 ' P' ' 34' ' ' LEU . 7.4 ptp 37.4 60.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' G' ' 36' ' ' VAL . 75.0 t -120.18 134.49 63.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.5 -177.31 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 46.8 54.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.555 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' I' ' 39' ' ' VAL . 4.1 p -119.44 124.96 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.695 ' CG1' HG12 ' G' ' 40' ' ' VAL . 4.9 p -125.14 129.01 73.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' I' ' 41' ' ' ILE . 2.2 pp -129.22 135.84 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.18 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.474 ' OXT' HD12 ' H' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.041 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 m -95.83 46.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -139.04 -178.31 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.27 123.38 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.817 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.9 89.78 7.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.47 112.0 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.629 ' HB3' HD22 ' H' ' 17' ' ' LEU . 3.2 mm? -118.23 80.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.408 ' O ' HG13 ' I' ' 18' ' ' VAL . 6.1 p -115.89 121.53 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' I' ' 30' ' ' ALA . 85.0 t80 -73.39 -36.03 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.11 116.87 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.33 -35.78 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.72 167.03 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -65.21 155.64 34.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -145.25 147.79 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.44 -98.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -84.22 102.62 12.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.365 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -105.66 100.04 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -93.78 98.14 10.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.34 124.57 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' I' ' 19' ' ' PHE . . . -147.77 112.33 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.713 HG21 HG11 ' I' ' 39' ' ' VAL . 1.2 pt -131.28 125.33 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 tp -132.35 142.92 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.98 139.32 3.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.54 ' H ' HD23 ' H' ' 34' ' ' LEU . 38.2 mt -80.03 161.71 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mmt 52.08 37.41 21.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.434 HG23 ' O ' ' H' ' 36' ' ' VAL . 13.0 p -86.82 131.22 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.72 119.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.81 61.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.829 HG13 HG13 ' H' ' 39' ' ' VAL . 21.5 t -130.22 128.85 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.69 HG13 HG23 ' H' ' 40' ' ' VAL . 5.9 p -130.61 127.65 62.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.664 HG22 ' CG1' ' H' ' 41' ' ' ILE . 1.3 pp -120.19 147.8 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' J' ' 12' ' ' VAL . 13.2 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' J' ' 11' ' ' GLU . 27.1 m 36.9 44.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -55.44 138.38 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -115.97 35.26 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -124.65 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.3 141.38 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.499 ' C ' HD13 ' J' ' 17' ' ' LEU . 3.3 tm? -141.56 102.75 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.511 ' CG2' HG22 ' K' ' 18' ' ' VAL . 16.3 m -111.79 132.68 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -98.77 -58.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -145.38 -179.65 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' K' ' 21' ' ' ALA . . . -139.27 -56.91 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -175.18 -177.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 51.67 52.43 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.14 123.82 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -126.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.52 91.76 7.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -91.04 70.96 6.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -82.07 94.64 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.77 74.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.21 91.82 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.65 ' HB ' HG23 ' K' ' 31' ' ' ILE . 34.0 mm -110.23 137.83 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tt -139.9 124.36 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 126.62 1.28 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.479 HD13 HD23 ' K' ' 34' ' ' LEU . 4.3 mm? -66.92 -36.1 81.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -136.17 90.23 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -147.81 146.96 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.45 172.68 20.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.1 74.31 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' K' ' 39' ' ' VAL . 48.8 t -114.01 140.02 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.493 HG23 HG13 ' K' ' 40' ' ' VAL . 7.1 p -134.93 138.19 49.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' J' ' 31' ' ' ILE . 50.0 mm -125.55 141.41 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.933 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.935 0.398 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -112.25 152.38 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.074 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -62.35 132.51 52.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -119.68 -34.78 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.68 119.54 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . 0.599 ' HD3' HG23 ' K' ' 18' ' ' VAL . 0.1 OUTLIER -134.96 132.36 38.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.446 HD13 HD23 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -127.62 121.71 31.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.941 0.401 . . . . 0.0 110.983 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.599 HG23 ' HD3' ' K' ' 16' ' ' LYS . 97.1 t -122.97 128.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -107.5 -35.73 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.9 152.53 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' L' ' 21' ' ' ALA . . . -118.67 -69.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -166.11 -175.94 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 58.95 75.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.634 HG13 ' CG1' ' L' ' 24' ' ' VAL . 67.6 t -133.51 131.57 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.54 -84.47 1.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.02 123.39 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.28 93.76 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -108.46 94.87 5.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' L' ' 30' ' ' ALA . . . 103.22 97.6 2.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.76 106.81 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.308 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.65 HG23 ' HB ' ' J' ' 31' ' ' ILE . 50.6 mt -133.35 132.4 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' L' ' 32' ' ' ILE . 1.3 tt -124.31 129.56 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.62 112.31 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.686 HD12 HD22 ' L' ' 34' ' ' LEU . 4.5 mm? -51.89 -34.92 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.501 ' HE1' HD22 ' A' ' 17' ' ' LEU . 6.6 ttp -134.82 107.29 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.69 ' CG2' HG12 ' L' ' 36' ' ' VAL . 28.5 m -150.3 171.12 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.41 158.0 29.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.47 85.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' L' ' 39' ' ' VAL . 21.6 t -133.19 150.35 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.626 HG23 HG13 ' L' ' 40' ' ' VAL . 6.1 p -140.19 121.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.667 HG13 HD11 ' L' ' 31' ' ' ILE . 50.7 mm -107.86 130.4 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.933 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.682 HG13 ' CD2' ' L' ' 13' ' ' HIS . 9.1 p -176.31 148.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.682 ' CD2' HG13 ' L' ' 12' ' ' VAL . 24.7 p80 39.23 39.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.65 138.0 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -137.03 116.21 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -121.19 121.13 37.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' M' ' 17' ' ' LEU . 0.3 OUTLIER -122.12 122.37 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' M' ' 18' ' ' VAL . 25.9 t -130.27 136.57 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -118.66 -34.92 3.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' M' ' 24' ' ' VAL . 0.3 OUTLIER -166.72 138.28 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.841 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.562 ' HB1' ' OE2' ' L' ' 22' ' ' GLU . . . -105.19 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . 0.562 ' OE2' ' HB1' ' L' ' 21' ' ' ALA . 1.9 pm0 -164.32 -176.09 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 54.98 66.88 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.706 HG23 ' CG1' ' M' ' 24' ' ' VAL . 12.0 p -122.87 137.02 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.52 -97.23 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 119.4 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.804 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -120.24 85.55 2.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -103.66 109.97 21.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.47 79.45 1.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' K' ' 29' ' ' GLY . . . -122.17 97.42 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.667 HD11 HG13 ' K' ' 41' ' ' ILE . 30.9 mm -120.04 119.83 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' K' ' 32' ' ' ILE . 1.5 tt -121.51 121.44 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.55 114.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.686 HD22 HD12 ' K' ' 34' ' ' LEU . 8.5 mp -51.62 -35.47 41.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.707 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.6 ttm -125.69 89.53 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' M' ' 36' ' ' VAL . 31.2 m -126.13 133.87 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.23 2.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.58 84.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.446 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' M' ' 39' ' ' VAL . 9.4 p -140.2 139.36 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.626 HG13 HG23 ' K' ' 40' ' ' VAL . 6.3 p -124.51 130.56 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.495 HD11 HG13 ' L' ' 31' ' ' ILE . 37.4 mm -111.81 127.9 68.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.889 ' OXT' ' HB3' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.14 64.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -169.85 112.54 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -71.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 124.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 127.17 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.605 HD13 ' CE ' ' D' ' 35' ' ' MET . 1.5 pt? -131.7 134.07 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' N' ' 18' ' ' VAL . 24.1 m -136.96 137.96 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.4 ' HE2' ' HB1' ' M' ' 30' ' ' ALA . 5.9 t80 -101.04 -39.41 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -158.4 144.32 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' N' ' 21' ' ' ALA . . . -105.84 -68.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.2 -177.39 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 52.25 68.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.706 ' CG1' HG23 ' L' ' 24' ' ' VAL . 3.8 p -125.53 135.36 64.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -97.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 36.8 m -100.61 131.22 46.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.934 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -128.23 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -100.45 129.44 46.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.421 ' HA2' HG21 ' L' ' 41' ' ' ILE . . . 61.15 94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' M' ' 19' ' ' PHE . . . -138.35 109.53 6.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -123.98 126.52 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.81 HD12 HG21 ' N' ' 32' ' ' ILE . 1.4 tt -122.35 132.72 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.48 ' O ' HG13 ' M' ' 36' ' ' VAL . . . 172.86 122.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.875 HD21 ' HE2' ' D' ' 35' ' ' MET . 17.2 mt -51.68 -35.46 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.568 ' SD ' HD12 ' D' ' 17' ' ' LEU . 2.0 mtp -124.77 87.47 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' L' ' 36' ' ' VAL . 34.2 m -115.88 130.81 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.05 147.76 18.6 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.88 71.23 0.69 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.9 HG12 HG12 ' L' ' 39' ' ' VAL . 16.1 m -121.28 120.76 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.697 HG23 HG13 ' N' ' 40' ' ' VAL . 6.1 p -116.04 125.18 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.788 HD12 HD11 ' N' ' 31' ' ' ILE . 77.6 mt -112.83 129.95 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.889 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -141.94 -41.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m80 54.01 64.37 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.54 137.01 44.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -107.34 110.19 22.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -107.34 130.91 54.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' O' ' 17' ' ' LEU . 0.1 OUTLIER -131.45 86.13 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.642 HG13 HG23 ' O' ' 18' ' ' VAL . 11.1 p -102.16 130.12 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -101.4 -35.71 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.32 138.82 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' M' ' 21' ' ' ALA . . . -98.99 -68.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -166.43 -177.87 4.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.24 57.37 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.64 ' CG1' HG23 ' M' ' 24' ' ' VAL . 5.2 p -113.28 137.64 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 -100.91 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -112.19 138.02 49.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.473 HD21 ' HB2' ' N' ' 30' ' ' ALA . 17.2 t-20 -124.39 87.15 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -93.55 111.78 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 71.63 99.2 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.473 ' HB2' HD21 ' N' ' 27' ' ' ASN . . . -141.72 119.61 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.788 HD11 HD12 ' M' ' 41' ' ' ILE . 3.5 mp -127.08 126.75 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.81 HG21 HD12 ' M' ' 32' ' ' ILE . 1.5 tt -122.32 128.11 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.4 126.15 0.94 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.513 HD23 HD23 ' M' ' 34' ' ' LEU . 3.9 mm? -51.58 -35.25 40.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.33 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mmm -128.14 109.51 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.718 HG22 HG12 ' O' ' 36' ' ' VAL . 23.6 m -126.99 134.55 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.85 126.72 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.534 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.29 81.73 0.12 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.863 HG23 HG23 ' M' ' 39' ' ' VAL . 5.7 p -132.15 136.38 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.697 HG13 HG23 ' M' ' 40' ' ' VAL . 6.0 p -132.51 132.13 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.543 HD13 ' HA2' ' O' ' 29' ' ' GLY . 69.9 mt -118.56 128.91 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.916 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 t 52.5 74.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -104.46 127.57 52.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -163.32 -176.13 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.793 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -118.18 114.58 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.16 132.77 56.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.842 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.1 OUTLIER -134.13 108.66 8.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' P' ' 18' ' ' VAL . 9.3 p -123.7 129.55 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -99.07 -42.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . 0.647 ' HE2' HG21 ' P' ' 24' ' ' VAL . 20.7 m-85 -155.21 135.72 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' N' ' 21' ' ' ALA . . . -94.61 -68.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -165.47 179.64 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 54.12 65.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.25 131.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.71 -101.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.17 138.92 53.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' O' ' 30' ' ' ALA . 28.5 t-20 -120.2 113.28 20.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -106.95 95.92 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' N' ' 41' ' ' ILE . . . 86.18 85.36 1.06 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.42 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' OD1' ' O' ' 27' ' ' ASN . . . -120.98 106.96 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.88 121.79 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.784 HG21 HD12 ' N' ' 32' ' ' ILE . 1.3 tt -120.04 130.16 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.19 126.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 35' ' ' MET . 4.2 mm? -51.34 -35.85 40.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' F' ' 17' ' ' LEU . 0.0 OUTLIER -128.25 106.29 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.748 HG22 HG12 ' P' ' 36' ' ' VAL . 22.1 m -126.03 134.72 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.01 143.32 14.87 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.92 72.19 0.57 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.811 HG22 HG12 ' P' ' 39' ' ' VAL . 5.7 m -123.82 140.85 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.714 HG23 HG13 ' P' ' 40' ' ' VAL . 5.5 p -139.85 138.28 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.524 HG12 HD12 ' N' ' 41' ' ' ILE . 74.1 mt -126.75 139.02 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 1.298 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.55 124.41 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -56.85 132.07 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -65.89 -71.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 103.48 13.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -127.09 119.38 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.733 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.3 OUTLIER -118.07 125.97 51.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' O' ' 18' ' ' VAL . 41.0 t -131.75 124.37 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -93.29 -35.39 13.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.72 138.96 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' O' ' 21' ' ' ALA . . . -96.16 -70.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.472 ' OE1' ' HB1' ' P' ' 21' ' ' ALA . 0.1 OUTLIER -161.9 -177.56 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.28 79.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.647 HG21 ' HE2' ' O' ' 20' ' ' PHE . 21.0 t -130.74 150.66 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.18 -99.02 1.96 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.88 113.69 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.818 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.72 93.62 5.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -93.94 103.31 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.94 97.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.422 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.52 127.31 25.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.39 132.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.773 HG21 HD12 ' O' ' 32' ' ' ILE . 2.2 tt -125.44 124.13 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.141 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.651 ' O ' HG13 ' P' ' 36' ' ' VAL . . . -175.37 119.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.498 HD11 ' SD ' ' H' ' 35' ' ' MET . 4.1 mm? -54.8 -35.57 64.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.832 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.48 ' SD ' HD23 ' F' ' 17' ' ' LEU . 6.6 ttm -121.67 86.82 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.748 HG12 HG22 ' O' ' 36' ' ' VAL . 19.1 m -110.92 136.14 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.41 119.55 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.34 78.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.817 HG22 HG12 ' Q' ' 39' ' ' VAL . 7.9 m -131.39 138.72 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.714 HG13 HG23 ' O' ' 40' ' ' VAL . 2.6 p -136.89 108.06 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -106.18 135.08 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 1.298 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.944 0.402 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 14.7 p -164.47 133.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -54.34 169.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -174.09 111.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -104.5 95.93 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.31 110.68 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.43 ' HG ' ' HE1' ' H' ' 35' ' ' MET . 0.2 OUTLIER -116.35 125.3 51.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.555 ' HB ' HG12 ' R' ' 18' ' ' VAL . 26.3 t -136.14 136.63 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.71 -44.64 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' R' ' 24' ' ' VAL . 34.6 m-85 -151.51 142.16 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' P' ' 21' ' ' ALA . . . -98.76 -68.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -166.63 179.77 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.66 73.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' R' ' 24' ' ' VAL . 94.0 t -136.75 113.62 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.85 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.01 145.53 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . 0.557 ' ND2' ' HB2' ' Q' ' 30' ' ' ALA . 0.5 OUTLIER -136.96 92.08 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -95.66 99.97 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 96.03 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.557 ' HB2' ' ND2' ' Q' ' 27' ' ' ASN . . . -136.11 122.89 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.039 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.97 120.73 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.639 HG21 HD12 ' P' ' 32' ' ' ILE . 13.1 tt -116.87 140.79 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . 0.605 ' O ' HG13 ' Q' ' 36' ' ' VAL . . . 162.99 122.14 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.741 ' HB3' HD13 ' H' ' 34' ' ' LEU . 3.2 mm? -51.47 -53.97 31.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.464 ' HG3' HD11 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -99.91 97.45 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' P' ' 36' ' ' VAL . 29.9 m -119.37 147.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.4 146.84 14.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 72.19 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.878 HG22 HG12 ' R' ' 39' ' ' VAL . 5.7 m -128.65 138.48 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.218 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.701 HG23 HG13 ' R' ' 40' ' ' VAL . 5.0 p -138.44 120.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.626 HG22 HG22 ' R' ' 41' ' ' ILE . 0.0 OUTLIER -116.1 143.74 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.824 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.053 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.2 103.74 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -93.19 53.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -139.67 109.38 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -108.07 88.22 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.62 116.56 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.6 116.94 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.555 HG12 ' HB ' ' Q' ' 18' ' ' VAL . 6.4 m -121.56 122.53 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.602 ' HD2' HD12 ' R' ' 32' ' ' ILE . 69.2 t80 -77.91 -57.47 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.68 150.28 37.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' Q' ' 21' ' ' ALA . . . -98.41 -75.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.1 -179.25 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.37 59.58 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.646 HG21 ' HE1' ' Q' ' 20' ' ' PHE . 59.7 t -116.01 98.74 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.48 -91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -119.54 125.79 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.36 135.6 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -131.33 116.05 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.76 75.86 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.21 95.82 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mt -119.12 124.12 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.602 HD12 ' HD2' ' R' ' 19' ' ' PHE . 16.7 tt -116.65 149.19 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.56 120.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.402 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.1 mm? -56.03 -57.45 12.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.541 ' SD ' HD23 ' H' ' 17' ' ' LEU . 2.2 mtp -81.2 85.98 6.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.78 152.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.51 104.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.29 76.8 0.89 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.878 HG12 HG22 ' Q' ' 39' ' ' VAL . 11.2 m -133.13 147.76 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.701 HG13 HG23 ' Q' ' 40' ' ' VAL . 14.8 p -147.81 138.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.686 HD12 ' OXT' ' R' ' 42' ' ' ALA . 2.4 pp -128.54 137.98 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.824 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.88 149.76 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -115.35 108.65 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -100.03 47.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.73 117.09 27.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 83.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.627 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.34 92.56 9.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -125.01 88.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HB3' HD12 ' A' ' 32' ' ' ILE . 7.0 p90 -66.61 -31.41 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.89 125.55 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.65 -62.48 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 178.9 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.95 175.08 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.94 145.62 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.26 -66.95 1.77 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 m -118.19 85.23 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.832 0.348 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -107.7 119.46 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -149.01 109.06 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.7 32.93 1.81 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.558 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.24 114.71 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.14 143.18 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' A' ' 19' ' ' PHE . 7.0 tt -134.11 122.47 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.29 138.37 5.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.74 HD23 HD13 ' B' ' 34' ' ' LEU . 1.1 mp -78.18 -49.81 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 65.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' HG13 ' B' ' 36' ' ' VAL . 7.2 p -122.27 130.85 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.56 168.42 13.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.79 50.68 18.19 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.16 125.89 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.611 HG23 ' CG2' ' B' ' 40' ' ' VAL . 4.8 p -148.51 119.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.51 HG13 HG22 ' B' ' 41' ' ' ILE . 2.1 pp -141.17 173.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.956 0.408 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t 55.96 75.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -117.01 134.18 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -117.29 -59.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.83 120.18 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -124.79 116.58 22.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.595 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -113.31 111.36 21.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' C' ' 18' ' ' VAL . 7.3 p -132.14 133.75 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -102.87 -41.46 6.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 105.55 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.95 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.66 179.89 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.53 159.39 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.79 150.08 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 -70.55 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.4 98.37 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -111.57 104.03 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.95 124.73 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.714 ' HA3' HD13 ' B' ' 41' ' ' ILE . . . 75.22 80.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.548 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 129.08 32.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.895 HG21 HG11 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -134.67 139.04 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.9 128.81 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.26 -166.38 32.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 34' ' ' LEU . 1.5 mp -128.89 -38.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.522 ' HE1' HD11 ' K' ' 34' ' ' LEU . 2.6 tpp -126.21 49.45 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.732 HG21 HD11 ' B' ' 31' ' ' ILE . 13.5 t -88.59 120.62 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.01 115.38 4.13 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.433 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.45 99.34 0.79 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.895 HG11 HG21 ' B' ' 31' ' ' ILE . 15.2 t -140.65 110.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.928 HG12 HG22 ' C' ' 40' ' ' VAL . 16.8 m -119.24 133.03 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.714 HD13 ' HA3' ' B' ' 29' ' ' GLY . 1.8 pp -139.95 139.41 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.741 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t 52.66 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.197 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -83.4 133.89 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -99.37 -74.96 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -116.52 128.02 55.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -119.43 99.02 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' D' ' 17' ' ' LEU . 0.3 OUTLIER -104.2 88.36 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.624 HG13 HG13 ' B' ' 18' ' ' VAL . 45.1 t -112.93 123.2 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -92.18 -51.92 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.75 134.08 31.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.28 -51.47 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 177.04 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -73.27 169.72 16.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -149.9 143.93 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.19 -81.89 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.7 t -94.71 113.97 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -126.95 100.98 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.16 133.45 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.75 99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.08 106.49 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.832 HG21 HG21 ' C' ' 39' ' ' VAL . 2.7 tt -118.69 129.14 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.572 HG23 HG23 ' D' ' 32' ' ' ILE . 4.4 mp -123.22 131.99 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.53 138.21 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.545 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 1.035 HD23 HD12 ' D' ' 34' ' ' LEU . 5.4 mp -61.48 -74.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.34 110.78 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' D' ' 36' ' ' VAL . 5.4 m -153.36 161.08 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.09 162.3 34.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 60.15 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.832 HG21 HG21 ' C' ' 31' ' ' ILE . 6.5 p -113.97 132.1 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.928 HG22 HG12 ' B' ' 40' ' ' VAL . 15.6 m -143.06 134.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.528 HD12 ' OXT' ' C' ' 42' ' ' ALA . 1.4 pp -128.68 141.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.741 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.01 128.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -83.04 148.14 27.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -116.72 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -111.58 109.59 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.59 87.09 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.5 OUTLIER -96.58 85.86 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.629 ' CG2' HG22 ' E' ' 18' ' ' VAL . 14.3 m -114.27 128.18 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -95.95 -40.19 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.06 140.79 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' E' ' 21' ' ' ALA . . . -115.75 -62.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.07 177.76 8.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.24 169.42 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.553 HG13 ' HB ' ' E' ' 24' ' ' VAL . 23.0 t -145.28 142.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.09 -75.28 1.02 Allowed Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -133.18 100.06 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -123.88 127.77 48.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.02 99.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.47 126.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.697 HG21 HD12 ' E' ' 31' ' ' ILE . 1.5 tp -139.58 114.89 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.643 HD12 HG21 ' E' ' 32' ' ' ILE . 2.1 tt -122.6 120.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.77 125.22 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 1.035 HD12 HD23 ' C' ' 34' ' ' LEU . 67.0 mt -51.5 -64.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttm -102.06 81.24 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.814 HG23 HG23 ' C' ' 36' ' ' VAL . 6.6 p -122.27 128.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.68 155.28 16.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 85.53 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' E' ' 31' ' ' ILE . 7.3 p -129.75 123.18 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.688 ' HB ' HG12 ' C' ' 40' ' ' VAL . 4.4 t -117.61 128.66 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' D' ' 31' ' ' ILE . 70.2 mt -121.8 113.56 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.537 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.876 HG23 HG13 ' F' ' 12' ' ' VAL . 9.3 p -167.59 136.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -73.01 168.18 19.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -113.42 -73.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.08 115.97 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -113.25 103.2 11.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -104.64 102.88 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.629 HG22 ' CG2' ' D' ' 18' ' ' VAL . 33.5 t -120.13 131.91 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.496 ' HD2' HD12 ' E' ' 32' ' ' ILE . 42.1 t80 -99.3 -36.06 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.478 ' HE2' HG23 ' F' ' 24' ' ' VAL . 0.2 OUTLIER -153.74 138.46 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' F' ' 21' ' ' ALA . . . -112.16 -66.03 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -76.58 179.75 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.98 173.42 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.553 ' HB ' HG13 ' D' ' 24' ' ' VAL . 61.8 t -145.38 145.11 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.89 -70.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.94 121.44 43.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -128.04 103.34 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -118.99 129.98 55.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.633 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 55.76 92.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.6 114.37 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.808 HG21 HD12 ' F' ' 31' ' ' ILE . 1.4 tt -123.81 138.89 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.643 HG21 HD12 ' D' ' 32' ' ' ILE . 9.1 tt -143.26 121.88 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.64 136.32 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.836 HD22 HD12 ' F' ' 34' ' ' LEU . 80.7 mt -56.34 -69.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.8 ptm -106.94 89.97 3.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.627 HG12 HG12 ' D' ' 36' ' ' VAL . 18.9 m -113.38 164.43 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.85 144.35 12.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.08 84.91 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.724 HG11 HG21 ' E' ' 31' ' ' ILE . 96.1 t -118.49 120.84 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.41 114.52 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.707 HG21 ' HA2' ' F' ' 29' ' ' GLY . 78.0 mt -108.84 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 12' ' ' VAL . 9.5 p -140.88 146.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.83 161.39 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -89.78 -70.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.36 111.46 23.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.85 128.51 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.728 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -138.86 103.12 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' G' ' 18' ' ' VAL . 9.9 p -120.07 135.43 60.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.8 t80 -97.96 -35.79 10.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -154.84 115.23 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.746 ' O ' ' HB3' ' E' ' 21' ' ' ALA . . . -88.67 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.2 -175.72 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.37 134.35 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' G' ' 24' ' ' VAL . 90.1 t -98.87 143.36 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.61 -75.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.8 m -128.87 111.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -112.05 108.71 18.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.74 101.29 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.707 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 80.81 96.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.85 121.79 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.808 HD12 HG21 ' E' ' 31' ' ' ILE . 1.0 OUTLIER -128.11 129.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.631 HD12 HG21 ' G' ' 32' ' ' ILE . 1.6 tt -130.49 120.8 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.74 148.01 13.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.846 HD22 HD12 ' G' ' 34' ' ' LEU . 37.4 mt -73.05 -66.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -100.76 66.04 1.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' G' ' 36' ' ' VAL . 11.1 t -82.78 154.5 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.3 119.93 1.0 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.29 71.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.431 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.805 HG21 HG21 ' F' ' 31' ' ' ILE . 5.5 p -115.62 137.1 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.14 138.23 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.663 ' C ' HD13 ' F' ' 41' ' ' ILE . 0.0 OUTLIER -129.31 139.96 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.939 0.4 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.595 HG21 ' HB ' ' H' ' 12' ' ' VAL . 37.6 t -67.52 114.54 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -133.75 96.31 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -147.23 160.8 42.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -119.49 126.71 51.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -127.06 131.08 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' F' ' 17' ' ' LEU . 0.6 OUTLIER -131.86 125.36 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.711 HG12 HG12 ' F' ' 18' ' ' VAL . 14.1 m -131.51 136.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' G' ' 30' ' ' ALA . 88.5 t80 -93.73 -36.2 12.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.617 ' CE1' HG22 ' G' ' 24' ' ' VAL . 0.1 OUTLIER -158.38 126.0 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.06 -52.65 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.08 -179.37 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.2 174.9 2.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.676 ' HB ' HG13 ' F' ' 24' ' ' VAL . 19.7 t -139.96 151.12 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.01 -86.45 1.1 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 92.47 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.87 137.05 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -140.74 143.43 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' G' ' 41' ' ' ILE . . . 51.84 67.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' G' ' 19' ' ' PHE . . . -109.76 112.93 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.793 HG21 HG11 ' G' ' 39' ' ' VAL . 1.1 tp -115.9 122.76 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.631 HG21 HD12 ' F' ' 32' ' ' ILE . 3.5 tp -123.16 125.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.28 -163.33 22.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.415 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.846 HD12 HD22 ' F' ' 34' ' ' LEU . 72.1 mt -122.94 -62.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.512 ' SD ' HD11 ' O' ' 34' ' ' LEU . 8.5 ptm -110.26 58.84 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.523 HG22 ' HB ' ' F' ' 36' ' ' VAL . 59.3 t -93.03 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.68 134.53 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.793 HG11 HG21 ' G' ' 31' ' ' ILE . 21.8 t -127.7 123.64 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.422 HG22 ' CG2' ' H' ' 40' ' ' VAL . 6.3 t -115.38 128.02 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.629 ' HA ' HG23 ' F' ' 41' ' ' ILE . 53.1 mt -119.17 113.75 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.667 ' OXT' ' HB3' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.595 ' HB ' HG21 ' G' ' 12' ' ' VAL . 21.7 t -112.82 150.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -161.24 159.24 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -97.87 -64.33 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -102.27 121.19 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -135.06 111.11 9.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' I' ' 17' ' ' LEU . 0.2 OUTLIER -114.71 112.84 23.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.672 HG22 HG22 ' G' ' 18' ' ' VAL . 53.5 t -120.45 124.71 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.49 ' HZ ' ' HB1' ' H' ' 30' ' ' ALA . 27.1 t80 -85.36 -36.15 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.7 123.64 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' I' ' 21' ' ' ALA . . . -94.17 -69.4 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.24 179.33 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.4 174.93 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.829 HG13 HG23 ' I' ' 24' ' ' VAL . 92.8 t -149.01 141.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.21 -74.37 0.9 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.5 136.37 54.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.814 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.53 92.63 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -93.36 106.83 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.536 ' HA2' HG21 ' G' ' 41' ' ' ILE . . . 67.2 118.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' HZ ' ' H' ' 19' ' ' PHE . . . -149.56 133.32 16.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CG2' ' G' ' 31' ' ' ILE . 1.9 pp -129.71 133.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.741 HD13 HG23 ' I' ' 32' ' ' ILE . 0.5 OUTLIER -137.64 122.92 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.621 ' N ' HD12 ' H' ' 32' ' ' ILE . . . 176.37 140.27 3.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.931 HD22 HD12 ' I' ' 34' ' ' LEU . 96.1 mt -55.32 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.49 ' HB2' HD11 ' Q' ' 34' ' ' LEU . 5.3 ttp -92.06 88.34 6.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.68 ' CG1' HG12 ' I' ' 36' ' ' VAL . 5.1 p -125.28 117.6 50.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.66 159.76 16.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.7 77.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.698 HG12 ' HB ' ' G' ' 39' ' ' VAL . 17.2 m -138.44 119.93 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.684 HG12 ' HB ' ' I' ' 40' ' ' VAL . 20.9 m -120.04 134.92 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.521 HD13 ' N ' ' H' ' 42' ' ' ALA . 0.0 OUTLIER -121.96 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.667 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.933 0.397 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t 53.83 74.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.63 -36.79 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -88.45 147.88 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -116.21 95.89 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 128.34 49.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.441 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -135.43 135.15 40.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.427 ' H ' HD23 ' I' ' 17' ' ' LEU . 6.9 p -142.07 123.55 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' I' ' 24' ' ' VAL . 2.6 m-85 -152.35 140.27 20.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.615 ' HA ' ' HB3' ' H' ' 21' ' ' ALA . . . -119.7 -46.21 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 164.86 16.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -73.4 122.46 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.829 HG23 HG13 ' H' ' 24' ' ' VAL . 16.5 m -98.17 159.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.38 -72.54 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.11 134.92 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.83 130.4 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -126.84 135.5 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.88 53.25 30.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.62 127.85 35.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.663 HD13 ' H ' ' I' ' 31' ' ' ILE . 0.1 OUTLIER -132.78 138.96 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.741 HG23 HD13 ' H' ' 32' ' ' ILE . 3.0 tp -143.35 136.25 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.585 ' H ' HD12 ' I' ' 32' ' ' ILE . . . 162.71 158.81 9.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.931 HD12 HD22 ' H' ' 34' ' ' LEU . 94.6 mt -74.95 -74.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.615 ' SD ' HD11 ' R' ' 34' ' ' LEU . 0.0 OUTLIER -83.96 96.41 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.68 HG12 ' CG1' ' H' ' 36' ' ' VAL . 5.6 m -122.96 121.12 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.04 147.9 18.28 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.74 70.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.665 HG23 HG23 ' H' ' 39' ' ' VAL . 5.0 p -122.66 120.02 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.684 ' HB ' HG12 ' H' ' 40' ' ' VAL . 39.3 t -109.86 130.21 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' H' ' 41' ' ' ILE . 1.1 pt -117.33 108.5 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' H' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.5 45.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m80 52.04 35.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -59.16 -38.17 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -141.97 129.2 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.41 130.05 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.26 109.69 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 t -79.97 142.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' J' ' 32' ' ' ILE . 6.2 t80 -150.16 108.53 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' J' ' 24' ' ' VAL . 4.4 m-85 51.16 58.38 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.79 170.84 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.34 138.16 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.764 HG12 HG22 ' K' ' 24' ' ' VAL . 17.7 m -110.45 139.96 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.71 -94.36 0.96 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 87.77 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -115.85 121.41 42.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -136.13 90.56 2.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.82 85.51 0.5 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.39 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.455 HG21 HG13 ' J' ' 39' ' ' VAL . 4.2 mt -120.36 124.18 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' K' ' 32' ' ' ILE . 3.9 mp -124.01 123.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.55 100.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.03 -35.29 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 2.4 ttm -135.56 67.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.67 157.39 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.11 159.46 20.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.78 84.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.455 HG13 HG21 ' J' ' 31' ' ' ILE . 21.0 t -118.9 110.52 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.184 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.588 HG23 HG13 ' K' ' 40' ' ' VAL . 6.0 p -124.5 128.43 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 tp -138.81 144.65 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.896 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 47.4 t -124.69 -36.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -169.63 121.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -56.39 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.63 113.17 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 114.49 19.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' L' ' 17' ' ' LEU . 0.3 OUTLIER -114.22 100.07 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.86 126.49 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -137.41 96.27 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 59.26 52.03 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -76.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.26 171.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.82 174.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.764 HG22 HG12 ' J' ' 24' ' ' VAL . 32.7 m -150.38 137.98 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.28 -83.96 1.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 62.7 m -109.3 78.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -101.83 112.26 24.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -126.6 100.22 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.29 88.7 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.26 100.23 4.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.803 0.335 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.517 HD13 HG13 ' K' ' 39' ' ' VAL . 51.0 mt -121.17 131.49 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.672 HG23 HG23 ' J' ' 32' ' ' ILE . 0.0 OUTLIER -126.81 138.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.48 120.23 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.553 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' L' ' 34' ' ' LEU . 3.2 mm? -71.18 -36.02 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -134.05 79.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.684 HG22 HG12 ' L' ' 36' ' ' VAL . 33.1 m -126.88 -175.37 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.16 138.44 5.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.86 86.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.517 HG13 HD13 ' K' ' 31' ' ' ILE . 29.4 t -123.12 131.05 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.373 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.588 HG13 HG23 ' J' ' 40' ' ' VAL . 4.6 p -136.45 122.44 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -122.09 138.4 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 1.133 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.912 0.387 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.39 -52.3 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -164.1 115.58 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -112.74 -74.58 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.11 96.56 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -111.03 111.93 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.722 ' HB3' HD22 ' K' ' 17' ' ' LEU . 0.3 OUTLIER -122.74 126.7 48.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.711 HG13 ' HB2' ' L' ' 21' ' ' ALA . 91.2 t -122.76 119.74 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.649 ' HB2' HD12 ' L' ' 32' ' ' ILE . 71.5 t80 -124.28 99.07 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 59.12 53.3 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG13 ' L' ' 18' ' ' VAL . . . -71.67 -69.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.04 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.74 175.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' K' ' 24' ' ' VAL . 33.0 m -150.45 146.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.29 -69.94 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 6.2 m -128.38 91.89 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -107.5 124.54 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 119.38 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 91.38 0.26 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.556 ' HB1' ' HZ ' ' L' ' 19' ' ' PHE . . . -127.85 111.88 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 0.0 111.114 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -123.49 117.19 50.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.649 HD12 ' HB2' ' L' ' 19' ' ' PHE . 9.7 tt -119.47 121.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.56 117.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.441 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.813 HD12 HD12 ' K' ' 34' ' ' LEU . 53.8 mt -58.98 -45.04 91.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.618 ' HG3' HD21 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -127.24 98.45 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' M' ' 36' ' ' VAL . 18.0 m -133.63 -173.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.91 132.51 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.63 98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.668 ' CG2' HG22 ' M' ' 39' ' ' VAL . 4.2 m -129.39 117.99 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.174 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.647 HG12 ' CG1' ' M' ' 40' ' ' VAL . 10.7 m -118.66 139.24 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.27 135.07 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 1.133 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -87.5 140.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -55.37 172.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -118.9 -74.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.44 111.56 23.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -114.3 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -92.63 93.28 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.601 HG13 ' HB2' ' M' ' 21' ' ' ALA . 21.3 t -96.43 120.53 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' M' ' 32' ' ' ILE . 50.4 t80 -132.82 102.79 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 58.43 36.13 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.601 ' HB2' HG13 ' M' ' 18' ' ' VAL . . . -56.39 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.92 174.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.89 169.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.17 129.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.65 -85.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 11.9 t -114.49 121.95 45.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.411 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.638 HD21 ' HB2' ' M' ' 30' ' ' ALA . 6.9 t-20 -134.4 123.41 24.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.476 ' HE2' ' OXT' ' L' ' 42' ' ' ALA . 0.3 OUTLIER -134.46 103.66 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.68 63.2 0.85 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' M' ' 27' ' ' ASN . . . -104.46 104.75 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -123.9 130.08 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' M' ' 19' ' ' PHE . 5.2 tt -132.09 124.86 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.88 112.68 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.656 HD12 HD22 ' L' ' 34' ' ' LEU . 20.3 mt -52.84 -35.64 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.718 0.295 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.601 ' HG3' HD11 ' D' ' 34' ' ' LEU . 1.2 mmm -135.49 102.38 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.937 HG22 HG12 ' N' ' 36' ' ' VAL . 14.2 m -137.77 178.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.64 140.67 7.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.7 90.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.668 HG22 ' CG2' ' L' ' 39' ' ' VAL . 41.0 t -120.57 128.77 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.647 ' CG1' HG12 ' L' ' 40' ' ' VAL . 4.0 p -137.34 120.8 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA2' ' N' ' 29' ' ' GLY . 24.9 pt -128.27 138.45 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.575 ' HB3' ' C ' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.942 0.401 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.454 HG11 ' O ' ' O' ' 11' ' ' GLU . 6.6 m -109.27 120.47 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -174.3 141.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -177.97 112.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.75 123.49 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 110.14 18.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.762 ' HB3' HD22 ' M' ' 17' ' ' LEU . 0.2 OUTLIER -111.45 91.7 3.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.73 HG13 ' HB2' ' N' ' 21' ' ' ALA . 99.0 t -101.05 125.0 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.204 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -136.33 106.44 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.2 35.16 23.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' N' ' 18' ' ' VAL . . . -58.5 -71.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.68 177.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.52 168.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.75 HG23 ' HB ' ' O' ' 24' ' ' VAL . 10.6 p -156.01 135.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.98 -103.23 0.22 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -92.53 99.89 12.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.488 ' OD1' HG21 ' N' ' 24' ' ' VAL . 0.1 OUTLIER -105.71 92.76 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -103.78 97.62 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.47 ' HA2' HD12 ' M' ' 41' ' ' ILE . . . 90.58 111.29 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.57 117.48 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' N' ' 39' ' ' VAL . 82.0 mt -135.71 133.05 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.62 HG13 HG23 ' O' ' 32' ' ' ILE . 12.9 tt -132.85 138.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.86 115.8 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.75 ' HB3' HD13 ' E' ' 34' ' ' LEU . 4.4 mm? -51.61 -34.15 36.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.519 ' SD ' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -135.37 100.94 4.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.937 HG12 HG22 ' M' ' 36' ' ' VAL . 17.8 m -137.08 174.13 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.11 144.89 12.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.05 81.38 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.565 ' HB ' HG12 ' O' ' 39' ' ' VAL . 95.1 t -113.62 113.96 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.629 HG23 HG13 ' O' ' 40' ' ' VAL . 5.8 p -117.96 127.46 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -124.99 132.25 71.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.622 ' OXT' ' HB3' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.454 ' O ' HG11 ' N' ' 12' ' ' VAL . 29.6 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -142.75 113.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -139.14 115.3 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -150.12 158.61 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.27 123.41 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -117.45 99.85 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' N' ' 17' ' ' LEU . 0.3 OUTLIER -108.66 89.17 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.752 HG13 ' HB2' ' O' ' 21' ' ' ALA . 92.7 t -105.33 120.49 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -132.65 106.38 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 59.58 35.93 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.752 ' HB2' HG13 ' O' ' 18' ' ' VAL . . . -59.84 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -175.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -51.85 166.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.75 ' HB ' HG23 ' N' ' 24' ' ' VAL . 99.6 t -150.11 118.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -98.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 6.5 m -113.86 96.09 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.528 HD21 ' HB2' ' O' ' 30' ' ' ALA . 11.1 t-20 -100.19 123.0 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -125.95 100.44 6.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.93 86.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' O' ' 27' ' ' ASN . . . -120.29 108.34 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 57.1 mt -122.93 123.75 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.74 118.99 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.55 111.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 34' ' ' LEU . 4.4 mm? -50.93 -35.13 31.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.432 ' HG3' HD11 ' F' ' 34' ' ' LEU . 0.4 OUTLIER -129.34 105.81 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.915 HG22 HG12 ' P' ' 36' ' ' VAL . 18.3 m -138.9 159.93 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.39 113.55 0.81 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.5 100.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.449 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.818 HG22 HG12 ' P' ' 39' ' ' VAL . 31.2 m -140.08 133.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.629 HG13 HG23 ' N' ' 40' ' ' VAL . 6.4 p -126.87 124.12 64.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -113.2 130.01 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.623 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.871 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.52 -43.73 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -119.08 108.6 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -58.21 -51.49 69.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.58 100.74 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -99.64 122.61 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.4 OUTLIER -135.84 86.54 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' P' ' 21' ' ' ALA . 99.4 t -110.11 134.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -143.25 108.75 5.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 58.11 38.98 26.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' P' ' 18' ' ' VAL . . . -59.05 -67.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.8 178.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.46 167.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.692 HG13 ' CG2' ' Q' ' 24' ' ' VAL . 97.8 t -150.1 118.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.23 -88.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -123.18 101.54 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.629 HD21 ' HB2' ' P' ' 30' ' ' ALA . 6.7 t-20 -105.32 116.84 32.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -121.32 97.03 5.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 92.39 1.78 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' P' ' 27' ' ' ASN . . . -128.09 115.27 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.633 ' CD1' HG21 ' O' ' 39' ' ' VAL . 12.4 tt -126.99 129.56 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 2.5 tt -129.55 130.12 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.67 118.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.554 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.862 HD22 HD12 ' Q' ' 34' ' ' LEU . 92.3 mt -59.97 -35.49 75.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.611 ' HG3' HD11 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -119.41 85.22 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.915 HG12 HG22 ' O' ' 36' ' ' VAL . 22.7 m -125.13 143.24 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.89 141.21 12.52 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.12 83.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.818 HG12 HG22 ' O' ' 39' ' ' VAL . 18.2 m -124.24 134.82 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.603 HG13 HG23 ' O' ' 40' ' ' VAL . 5.7 p -134.25 128.55 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.3 137.58 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.623 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.969 0.414 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -170.25 139.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -131.54 -176.22 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.03 167.03 21.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.95 122.67 48.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 124.8 53.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -135.7 119.85 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.726 ' CG1' ' HB2' ' Q' ' 21' ' ' ALA . 46.1 t -145.8 138.09 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.458 ' HB2' HD12 ' Q' ' 32' ' ' ILE . 11.3 t80 -137.67 111.04 7.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' R' ' 24' ' ' VAL . 12.2 m-85 59.07 50.58 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.726 ' HB2' ' CG1' ' Q' ' 18' ' ' VAL . . . -63.87 -70.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -54.94 175.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -51.93 166.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . 0.692 ' CG2' HG13 ' P' ' 24' ' ' VAL . 33.5 m -150.4 157.1 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.84 -90.56 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 124.03 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . 0.419 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 8.8 t-20 -121.53 113.7 20.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.07 101.44 10.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.18 114.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -139.59 123.38 17.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.43 HG13 HD11 ' Q' ' 41' ' ' ILE . 23.6 mt -123.47 111.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.522 HG21 HD12 ' P' ' 32' ' ' ILE . 14.7 tt -114.73 126.87 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.14 139.05 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.862 HD12 HD22 ' P' ' 34' ' ' LEU . 20.0 mt -66.9 -74.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.57 ' HG3' HD11 ' H' ' 34' ' ' LEU . 2.6 mtm -86.4 92.34 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.91 HG12 HG22 ' P' ' 36' ' ' VAL . 29.5 m -124.43 139.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.63 136.06 9.05 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.09 87.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' R' ' 39' ' ' VAL . 27.9 m -125.53 126.22 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.532 HG13 HG23 ' P' ' 40' ' ' VAL . 6.7 p -128.44 125.35 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' R' ' 42' ' ' ALA . 80.4 mt -115.59 127.24 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.63 -179.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -89.05 -74.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -52.54 155.5 2.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -103.59 129.77 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.32 64.33 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.584 HD11 HD11 ' R' ' 32' ' ' ILE . 0.6 OUTLIER -79.87 75.89 6.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.58 ' CG1' ' HB2' ' R' ' 21' ' ' ALA . 21.9 t -108.52 138.67 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 112.04 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . 0.477 ' HB3' HG11 ' R' ' 24' ' ' VAL . 59.8 m-85 51.82 54.14 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . 0.58 ' HB2' ' CG1' ' R' ' 18' ' ' VAL . . . -60.53 -35.62 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -88.7 177.32 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -53.82 160.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' Q' ' 20' ' ' PHE . 35.0 m -150.45 -179.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.99 -96.81 2.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.17 154.89 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -148.37 129.48 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.65 121.54 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . 0.73 ' HA3' HG23 ' R' ' 41' ' ' ILE . . . 52.41 62.09 6.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.553 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.01 96.18 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.567 ' CD1' HG21 ' Q' ' 39' ' ' VAL . 2.3 tt -112.65 147.43 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.584 HD11 HD11 ' R' ' 17' ' ' LEU . 1.6 tt -151.12 144.71 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.92 150.55 6.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.777 ' HB3' HD13 ' I' ' 34' ' ' LEU . 55.7 mt -79.45 -67.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.674 ' HB2' HD11 ' I' ' 34' ' ' LEU . 6.3 tpt -89.57 69.67 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.821 HG22 HG22 ' Q' ' 36' ' ' VAL . 38.2 t -102.96 148.36 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.91 140.89 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 54.5 90.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 20.2 m -118.76 123.09 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.462 ' HB ' HG23 ' Q' ' 40' ' ' VAL . 99.0 t -113.21 80.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.73 HG23 ' HA3' ' R' ' 29' ' ' GLY . 53.6 mt -80.17 89.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 140.36 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -60.47 130.28 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -106.34 -38.24 6.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.31 136.34 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.21 123.49 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -102.38 131.0 49.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.52 130.06 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.163 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -96.34 -76.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 24' ' ' VAL . 2.9 t80 -162.53 113.5 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.65 67.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.24 -172.17 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.63 153.64 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG12 HG22 ' B' ' 24' ' ' VAL . 3.0 m -148.66 -179.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.56 -76.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.12 77.38 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -106.79 133.32 51.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -141.03 134.93 30.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . 93.19 45.8 3.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.17 98.85 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 HG13 ' B' ' 31' ' ' ILE . 1.3 tt -119.99 126.94 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' HG23 ' B' ' 32' ' ' ILE . 1.5 tt -125.06 122.12 62.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.655 ' O ' HD22 ' A' ' 34' ' ' LEU . . . -150.99 -172.53 20.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.425 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 33' ' ' GLY . 4.4 mm? -132.44 -39.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtt -129.85 44.11 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 36' ' ' VAL . 12.2 t -104.93 99.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.95 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.3 88.35 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG22 HG12 ' B' ' 39' ' ' VAL . 13.3 m -131.46 137.37 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 HG13 ' B' ' 40' ' ' VAL . 4.5 p -135.53 122.12 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.627 HD13 ' HA3' ' A' ' 29' ' ' GLY . 1.4 pp -143.2 166.66 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.798 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.877 0.37 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -98.86 136.52 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -120.0 -54.89 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -44.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -131.75 135.33 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -128.91 129.07 45.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.648 HD23 ' SD ' ' L' ' 35' ' ' MET . 1.0 OUTLIER -115.68 83.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 t -85.07 115.56 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.522 ' HZ ' ' HB1' ' B' ' 30' ' ' ALA . 8.8 t80 -87.86 -74.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -161.06 104.48 1.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.41 64.79 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.26 -174.61 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.89 152.39 28.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 24' ' ' VAL . 13.3 m -153.19 178.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.2 -74.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.45 93.29 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -107.82 127.58 53.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -129.68 93.02 3.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . 118.29 90.02 1.35 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.522 ' HB1' ' HZ ' ' B' ' 19' ' ' PHE . . . -132.26 98.41 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.572 HD13 HG12 ' C' ' 31' ' ' ILE . 5.2 mp -115.52 131.53 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' C' ' 32' ' ' ILE . 4.5 tp -138.2 124.76 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.76 138.22 2.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.41 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.646 HD22 HD12 ' C' ' 34' ' ' LEU . 63.2 mt -62.56 -72.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.609 ' CE ' HD23 ' K' ' 17' ' ' LEU . 41.5 ttm -96.39 89.91 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.731 ' O ' HG23 ' C' ' 36' ' ' VAL . 4.8 m -146.21 94.65 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.91 159.58 22.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.68 92.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.917 HG12 HG22 ' A' ' 39' ' ' VAL . 13.8 m -141.41 135.91 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 40' ' ' VAL . 6.5 p -132.26 126.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.631 HG22 HG22 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -132.87 148.6 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.924 ' OXT' ' HB3' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -82.6 90.05 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -141.12 174.25 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -117.99 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -104.41 107.14 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -112.08 123.08 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' B' ' 17' ' ' LEU . 0.4 OUTLIER -119.76 119.37 33.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -121.9 113.68 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.672 ' HZ ' ' HB1' ' C' ' 30' ' ' ALA . 30.6 t80 -79.75 -76.18 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.07 105.77 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.5 67.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.27 -173.7 4.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.29 142.24 34.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -153.38 140.51 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.52 -63.09 2.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.37 117.63 9.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -126.46 145.82 50.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.482 ' HD3' ' OXT' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -145.6 136.92 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' B' ' 41' ' ' ILE . . . 71.6 78.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' C' ' 19' ' ' PHE . . . -126.67 113.55 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 39' ' ' VAL . 20.9 mt -133.0 142.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.626 HD12 ' N ' ' C' ' 33' ' ' GLY . 0.5 OUTLIER -145.48 124.57 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.692 ' O ' HG12 ' C' ' 36' ' ' VAL . . . -170.48 131.41 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.646 HD12 HD22 ' B' ' 34' ' ' LEU . 94.4 mt -59.33 -41.26 88.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.466 ' SD ' HD12 ' L' ' 17' ' ' LEU . 2.1 ttm -121.83 58.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 36' ' ' VAL . 7.2 p -111.34 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.84 166.94 12.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.29 72.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' D' ' 39' ' ' VAL . 4.4 m -112.4 111.93 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.839 HG12 HG22 ' D' ' 40' ' ' VAL . 8.2 m -117.78 129.77 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.77 HD12 ' O ' ' C' ' 42' ' ' ALA . 1.3 pp -133.14 140.56 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.924 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -118.64 62.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.91 163.46 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.47 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -130.6 124.08 30.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -112.08 110.65 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.731 HD11 HD11 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -100.53 91.09 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.86 111.26 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.61 ' HZ ' ' HB1' ' D' ' 30' ' ' ALA . 27.3 t80 -84.75 -76.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -158.92 102.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.25 73.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 -171.4 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -82.2 133.84 35.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 54.5 t -152.88 141.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.63 -58.25 2.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -136.88 126.57 25.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -138.68 118.82 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 129.06 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.19 96.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -147.41 107.03 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.84 HG21 HG21 ' C' ' 39' ' ' VAL . 13.2 mm -131.51 130.05 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.22 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.731 HD11 HD11 ' D' ' 17' ' ' LEU . 5.5 tt -129.28 127.25 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.42 127.18 1.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.726 HD22 HD12 ' E' ' 34' ' ' LEU . 65.8 mt -55.79 -47.08 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.493 ' CE ' HD23 ' M' ' 17' ' ' LEU . 4.7 tpt -120.65 82.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.876 HG13 HG23 ' E' ' 36' ' ' VAL . 2.7 p -119.79 108.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.79 103.64 2.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 116.03 3.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.843 HG23 HG23 ' C' ' 39' ' ' VAL . 4.8 p -154.55 135.53 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.206 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.839 HG22 HG12 ' C' ' 40' ' ' VAL . 33.0 m -135.97 128.28 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.611 HG23 HD11 ' C' ' 41' ' ' ILE . 43.7 mt -118.5 125.71 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.936 0.398 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.06 139.33 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -125.64 -51.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.66 -71.15 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.25 120.89 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.9 114.79 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -107.01 98.64 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.966 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 112.16 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.77 ' HB2' HD13 ' E' ' 32' ' ' ILE . 17.6 t80 -83.57 -76.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 3.3 t80 -159.41 103.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.94 75.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.84 -171.71 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.19 128.24 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.436 HG21 ' CZ ' ' E' ' 20' ' ' PHE . 69.3 t -151.46 142.52 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.3 -67.61 1.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -124.24 124.68 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -137.47 134.09 35.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -142.32 135.54 28.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.427 ' HA3' HG23 ' E' ' 41' ' ' ILE . . . 85.42 79.81 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.492 ' HB1' ' HZ ' ' E' ' 19' ' ' PHE . . . -124.66 113.58 18.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.055 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.778 HD12 HG21 ' D' ' 39' ' ' VAL . 33.3 mm -138.18 124.97 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' E' ' 19' ' ' PHE . 1.5 tt -134.34 131.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.45 122.62 0.8 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.726 HD12 HD22 ' D' ' 34' ' ' LEU . 49.0 mt -51.61 -56.75 11.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 5.0 tpp -107.09 66.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.876 HG23 HG13 ' D' ' 36' ' ' VAL . 9.4 p -98.45 153.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 144.7 14.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.36 88.76 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.461 ' HA ' HG13 ' D' ' 39' ' ' VAL . 24.5 t -117.41 118.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t -111.32 91.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 0.628 HG21 ' HA2' ' F' ' 29' ' ' GLY . 43.5 mm -89.94 94.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.449 HG11 ' CD2' ' G' ' 14' ' ' HIS . 47.5 t -64.86 -70.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 35.8 m80 55.35 56.26 6.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -105.65 150.79 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -113.85 121.41 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.81 ' HB3' HD22 ' E' ' 17' ' ' LEU . 0.3 OUTLIER -103.71 90.49 3.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.87 114.09 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' F' ' 32' ' ' ILE . 24.4 t80 -84.35 -75.24 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' F' ' 24' ' ' VAL . 2.9 t80 -158.92 101.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 77.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.61 -170.86 3.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -81.77 126.22 31.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' F' ' 20' ' ' PHE . 69.4 t -151.13 143.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.93 -59.27 2.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.02 134.91 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -139.49 119.98 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -132.8 116.32 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.628 ' HA2' HG21 ' E' ' 41' ' ' ILE . . . 96.48 88.68 1.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.457 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' F' ' 19' ' ' PHE . . . -134.8 111.82 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.765 HG21 HG11 ' F' ' 39' ' ' VAL . 2.8 tp -137.15 127.28 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' F' ' 19' ' ' PHE . 1.2 tt -132.37 122.93 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.453 ' HA3' HG22 ' F' ' 36' ' ' VAL . . . -162.17 136.84 4.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.75 HD13 HD23 ' G' ' 34' ' ' LEU . 4.5 mm? -65.98 -55.06 18.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.947 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 70.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.728 ' HB ' HG12 ' G' ' 36' ' ' VAL . 2.5 t -84.9 162.09 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.01 99.05 0.19 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 103.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.765 HG11 HG21 ' F' ' 31' ' ' ILE . 92.7 t -136.83 126.45 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.418 ' O ' HG13 ' F' ' 40' ' ' VAL . 5.8 p -120.54 120.51 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -110.12 128.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.963 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 m -128.24 165.58 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -117.27 160.0 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.449 ' CD2' HG11 ' F' ' 12' ' ' VAL . 15.7 t-80 -159.09 139.49 12.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -107.21 94.1 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 115.19 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' H' ' 17' ' ' LEU . 0.1 OUTLIER -121.1 102.92 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' H' ' 18' ' ' VAL . 17.2 m -121.13 118.49 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.63 ' CE1' ' HB1' ' G' ' 30' ' ' ALA . 16.2 t80 -82.31 -74.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' G' ' 24' ' ' VAL . 3.3 t80 -155.87 100.73 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.84 78.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.14 -172.15 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -80.84 122.83 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.444 HG21 ' CE2' ' G' ' 20' ' ' PHE . 90.7 t -150.69 144.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.12 -62.88 2.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.22 127.06 46.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -133.07 124.67 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 140.23 44.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.91 84.12 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' G' ' 19' ' ' PHE . . . -130.9 109.12 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.754 HD12 HG21 ' F' ' 31' ' ' ILE . 1.1 tt -136.57 129.16 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' F' ' 32' ' ' ILE . 0.0 OUTLIER -133.8 136.79 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.26 124.86 1.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.75 HD23 HD13 ' F' ' 34' ' ' LEU . 4.3 mm? -57.2 -52.9 63.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.491 ' HG3' HD22 ' P' ' 34' ' ' LEU . 0.0 OUTLIER -116.13 86.02 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.732 HG23 HG23 ' H' ' 36' ' ' VAL . 4.7 m -111.33 157.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.8 98.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.39 106.2 0.78 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' G' ' 31' ' ' ILE . 58.6 t -147.12 138.61 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.86 136.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' H' ' 42' ' ' ALA . 1.3 pp -120.44 142.44 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 0.963 ' HB3' ' OXT' ' F' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' I' ' 16' ' ' LYS . 7.6 p -139.23 132.17 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -135.72 42.02 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -169.31 -176.15 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.64 106.11 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -109.04 86.59 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.829 ' HB3' HD22 ' G' ' 17' ' ' LEU . 0.5 OUTLIER -94.52 93.68 7.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' I' ' 18' ' ' VAL . 5.2 p -118.19 123.1 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.777 ' HB2' HD13 ' H' ' 32' ' ' ILE . 40.9 t80 -83.07 -75.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' H' ' 24' ' ' VAL . 3.8 t80 -154.75 100.2 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.81 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.16 -173.1 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.58 121.0 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.423 HG21 ' CZ ' ' H' ' 20' ' ' PHE . 70.6 t -150.8 141.64 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.98 -63.3 2.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -124.5 130.88 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.75 119.12 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.21 140.63 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.57 90.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.704 ' HB1' ' CE1' ' H' ' 19' ' ' PHE . . . -138.1 110.61 7.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.843 HD13 HG13 ' H' ' 39' ' ' VAL . 11.9 tt -132.83 127.53 55.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.777 HD13 ' HB2' ' H' ' 19' ' ' PHE . 0.9 OUTLIER -131.67 130.34 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.14 120.24 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.635 HD12 HD12 ' G' ' 34' ' ' LEU . 69.0 mt -50.95 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmm -96.46 86.28 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.747 ' CG1' HG12 ' I' ' 36' ' ' VAL . 7.5 p -123.3 145.05 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.01 126.54 4.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.19 86.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.843 HG13 HD13 ' H' ' 31' ' ' ILE . 54.2 t -122.87 127.07 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.106 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -124.55 102.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.571 HG21 ' HA2' ' I' ' 29' ' ' GLY . 31.1 mm -95.58 96.72 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.928 0.394 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.17 158.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -165.92 161.1 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.54 ' HB3' HG13 ' H' ' 12' ' ' VAL . 5.4 m-70 -89.59 144.02 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.813 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -125.37 71.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.643 ' HB2' HG11 ' H' ' 12' ' ' VAL . 0.1 OUTLIER -93.28 115.33 27.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.717 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.5 OUTLIER -121.75 90.81 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' H' ' 18' ' ' VAL . 40.8 t -114.8 119.5 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.515 ' HE2' ' HB1' ' I' ' 30' ' ' ALA . 29.1 t80 -80.74 -74.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -156.69 99.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.55 83.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.12 -175.18 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.64 118.66 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.457 HG11 ' OD1' ' I' ' 27' ' ' ASN . 87.4 t -150.67 144.71 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -74.43 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -121.75 147.92 45.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.457 ' OD1' HG11 ' I' ' 24' ' ' VAL . 6.6 m-80 -146.13 116.23 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 127.95 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.571 ' HA2' HG21 ' H' ' 41' ' ' ILE . . . 79.52 94.93 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' I' ' 19' ' ' PHE . . . -138.26 96.38 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.83 136.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.726 HG21 HD12 ' H' ' 32' ' ' ILE . 0.0 OUTLIER -142.73 146.13 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.077 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.471 ' N ' HD13 ' I' ' 32' ' ' ILE . . . 174.81 125.79 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' H' ' 34' ' ' LEU . 3.3 mm? -51.72 -57.4 9.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tpt -114.14 93.27 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.747 HG12 ' CG1' ' H' ' 36' ' ' VAL . 13.7 m -107.63 171.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.26 93.93 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.08 87.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 m -128.49 137.93 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.089 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.07 144.24 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 75.7 mt -124.04 141.03 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.03 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.956 0.408 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.91 -56.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -75.73 126.33 30.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -104.42 42.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -110.69 122.32 47.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.2 105.73 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.99 134.1 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.14 142.35 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' J' ' 30' ' ' ALA . 16.9 t80 -99.06 -57.0 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -151.43 -178.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' K' ' 22' ' ' GLU . . . -132.42 179.33 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -175.85 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 55.73 48.57 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.17 132.91 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.9 -103.0 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.93 97.12 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.37 95.26 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -100.59 142.27 32.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.17 90.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.643 ' HB1' ' CE1' ' J' ' 19' ' ' PHE . . . -127.83 122.62 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.599 ' CG1' HD11 ' J' ' 41' ' ' ILE . 41.6 mm -137.41 130.18 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' J' ' 19' ' ' PHE . 7.0 tt -140.46 125.63 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.15 -166.96 19.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mp -131.7 -39.53 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttp -135.34 96.96 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.7 HG22 HG12 ' K' ' 36' ' ' VAL . 16.3 m -151.18 168.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 126.14 2.05 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 54.15 1.33 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.39 123.38 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' K' ' 40' ' ' VAL . 7.5 p -126.03 139.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.787 HG21 ' HA2' ' K' ' 29' ' ' GLY . 44.6 mm -128.39 130.61 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 1.042 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.932 0.396 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.436 HG13 HG23 ' M' ' 12' ' ' VAL . 35.5 t -112.35 -50.45 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.97 114.94 7.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -166.89 172.36 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -112.96 131.58 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -121.27 93.71 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' B' ' 35' ' ' MET . 2.6 tm? -101.75 108.71 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.42 133.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.711 ' CE1' ' HB1' ' K' ' 30' ' ' ALA . 49.2 t80 -98.51 -54.31 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.41 178.88 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.77 -175.15 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.423 ' N ' ' HB3' ' J' ' 21' ' ' ALA . 4.7 pt-20 -77.58 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 58.5 52.38 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.521 HG13 ' CG2' ' L' ' 24' ' ' VAL . 90.8 t -104.36 143.45 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.05 -66.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -139.73 123.18 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -141.81 132.62 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -134.39 145.99 49.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 62.76 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' K' ' 19' ' ' PHE . . . -126.96 123.87 38.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 111.055 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' K' ' 39' ' ' VAL . 76.9 mt -139.16 118.85 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.409 ' HA ' HG23 ' L' ' 32' ' ' ILE . 0.0 OUTLIER -128.32 132.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.2 141.29 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' ' 34' ' ' LEU . 16.6 mt -64.49 -64.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.533 ' SD ' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -102.38 98.88 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.7 HG12 HG22 ' J' ' 36' ' ' VAL . 22.5 m -148.32 125.39 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.28 167.4 12.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.412 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 77.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' K' ' 31' ' ' ILE . 95.7 t -110.47 113.21 43.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' J' ' 40' ' ' VAL . 6.3 p -125.1 122.2 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.57 HD12 HD11 ' L' ' 31' ' ' ILE . 62.9 mt -123.43 133.02 70.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 1.237 ' OXT' ' HB3' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.16 125.42 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -176.43 147.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -174.77 123.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.87 115.88 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 112.23 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -122.46 119.8 32.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.44 138.11 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB1' ' L' ' 30' ' ' ALA . 90.2 t80 -93.6 -66.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.71 -179.07 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' M' ' 22' ' ' GLU . . . -139.65 -174.39 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -79.54 178.04 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 57.82 52.24 8.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.658 HG12 ' CG1' ' M' ' 24' ' ' VAL . 27.7 m -104.02 147.43 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.95 -76.79 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.54 112.94 14.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.28 110.07 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.64 112.48 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.45 80.63 1.51 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.423 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.58 ' HB1' ' CE2' ' L' ' 19' ' ' PHE . . . -123.25 116.0 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.57 HD11 HD12 ' K' ' 41' ' ' ILE . 2.6 mp -133.74 116.85 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.653 HD12 HG21 ' M' ' 32' ' ' ILE . 2.4 tt -127.68 122.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.59 123.62 1.04 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.454 HD22 HD12 ' M' ' 34' ' ' LEU . 34.0 mt -59.15 -57.38 13.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.648 ' SD ' HD23 ' B' ' 17' ' ' LEU . 4.2 ttp -107.47 92.07 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.844 HG22 HG12 ' M' ' 36' ' ' VAL . 17.3 m -134.68 164.62 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.59 150.34 22.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.04 85.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.566 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.24 115.99 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.503 HG23 HG13 ' M' ' 40' ' ' VAL . 4.5 p -131.28 119.75 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.862 HD13 ' O ' ' L' ' 42' ' ' ALA . 0.0 OUTLIER -121.73 144.22 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 1.237 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.436 HG23 HG13 ' K' ' 12' ' ' VAL . 7.5 p -119.4 -36.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -103.27 126.4 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.61 -66.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -106.39 105.85 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -110.87 131.0 55.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' N' ' 17' ' ' LEU . 0.2 OUTLIER -137.21 88.22 2.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.85 123.13 64.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.602 ' CZ ' ' HB1' ' M' ' 30' ' ' ALA . 18.7 t80 -84.44 -57.5 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.17 178.25 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . 0.528 ' HB1' ' HG2' ' N' ' 22' ' ' GLU . . . -134.15 -175.61 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' L' ' 21' ' ' ALA . 59.4 mt-10 -78.77 178.49 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 58.39 39.5 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.658 ' CG1' HG12 ' L' ' 24' ' ' VAL . 7.2 p -94.26 139.98 17.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.32 -90.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.566 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.36 136.69 54.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.0 114.19 7.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -120.38 119.76 34.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.67 94.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' M' ' 19' ' ' PHE . . . -138.24 121.67 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.826 HD13 HG13 ' M' ' 39' ' ' VAL . 15.0 mt -133.4 130.52 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.653 HG21 HD12 ' L' ' 32' ' ' ILE . 16.3 tt -133.66 138.68 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.48 131.22 1.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.454 HD12 HD22 ' L' ' 34' ' ' LEU . 53.3 mt -66.38 -35.71 81.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.497 ' HE1' ' HB2' ' D' ' 17' ' ' LEU . 0.0 OUTLIER -130.13 96.23 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.924 HG22 HG12 ' N' ' 36' ' ' VAL . 18.6 m -132.03 174.3 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.72 146.03 12.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.1 73.77 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.556 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.826 HG13 HD13 ' M' ' 31' ' ' ILE . 90.5 t -106.99 135.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.627 HG23 HG13 ' N' ' 40' ' ' VAL . 4.8 p -146.04 121.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.521 HD11 HD12 ' M' ' 31' ' ' ILE . 62.9 mt -116.25 128.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 0.988 ' HB3' ' OXT' ' L' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -125.7 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -139.97 133.8 30.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.13 103.52 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -103.99 108.05 19.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.31 120.25 37.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' M' ' 17' ' ' LEU . 3.4 tm? -116.03 100.3 7.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 49.8 t -116.21 126.15 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -87.8 -52.66 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -131.82 166.62 21.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.93 -172.88 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . 0.528 ' HG2' ' HB1' ' M' ' 21' ' ' ALA . 31.6 mt-10 -75.93 177.61 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.3 49.33 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.648 ' HA ' HG13 ' O' ' 24' ' ' VAL . 89.9 t -97.01 139.12 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.97 -69.38 0.96 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.57 132.16 27.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.916 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.07 140.7 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -141.56 122.53 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.48 88.59 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 120.14 36.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.738 HD12 HG11 ' M' ' 39' ' ' VAL . 45.6 mm -127.92 109.15 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.507 HG23 HG13 ' M' ' 32' ' ' ILE . 1.4 tp -122.64 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.91 128.85 1.86 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' M' ' 34' ' ' LEU . 62.5 mt -58.52 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.655 ' CE ' HD23 ' D' ' 17' ' ' LEU . 2.8 ttp -99.21 107.07 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.924 HG12 HG22 ' M' ' 36' ' ' VAL . 18.5 m -140.11 176.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.69 5.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 57.86 95.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.635 HG12 HG12 ' O' ' 39' ' ' VAL . 13.9 p -135.41 133.67 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.627 HG13 HG23 ' M' ' 40' ' ' VAL . 6.2 p -130.49 131.77 64.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.527 HG21 ' HA2' ' O' ' 29' ' ' GLY . 34.9 mm -119.3 130.08 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.808 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.31 45.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.83 130.4 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -115.57 -59.06 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.19 106.58 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -117.42 128.29 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -135.25 100.96 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.568 HG13 HG23 ' P' ' 18' ' ' VAL . 7.1 p -119.19 129.24 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' O' ' 32' ' ' ILE . 62.7 t80 -91.48 -36.15 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . 0.41 ' HE2' HG23 ' O' ' 24' ' ' VAL . 0.2 OUTLIER -149.24 147.1 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.505 ' HB3' ' N ' ' P' ' 22' ' ' GLU . . . -104.18 -174.04 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -71.01 -173.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.0 40.84 29.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.648 HG13 ' HA ' ' N' ' 24' ' ' VAL . 6.6 p -95.99 138.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.73 -100.72 2.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.08 144.49 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -149.07 118.83 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -119.02 136.41 54.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 59.77 97.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.532 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.06 123.64 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -137.32 126.19 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.695 HD12 HG21 ' P' ' 32' ' ' ILE . 2.5 tt -137.46 129.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.65 125.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.424 ' CD1' HD22 ' N' ' 34' ' ' LEU . 91.5 mt -51.72 -42.59 62.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -126.1 95.57 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' P' ' 36' ' ' VAL . 19.8 m -126.43 167.93 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.49 130.54 2.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.73 78.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.729 HG22 HG12 ' P' ' 39' ' ' VAL . 17.4 m -120.0 136.2 57.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.55 HG23 HG13 ' P' ' 40' ' ' VAL . 5.8 p -137.61 124.12 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.43 137.84 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 0.737 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -102.14 135.69 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.67 157.12 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -170.45 112.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -114.74 110.57 19.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.9 134.96 49.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.7 OUTLIER -132.2 127.17 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.698 ' CG1' HG12 ' Q' ' 18' ' ' VAL . 6.7 p -132.03 124.73 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HB1' ' P' ' 30' ' ' ALA . 89.6 t80 -84.51 -58.69 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -131.26 138.54 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.808 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.98 -174.2 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' O' ' 21' ' ' ALA . 2.7 pm0 -75.6 -177.33 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.71 53.14 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 99.9 t -106.61 140.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.74 -73.86 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -142.19 122.59 14.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -116.15 146.74 42.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 125.39 11.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.77 81.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.559 ' HB1' ' CZ ' ' P' ' 19' ' ' PHE . . . -124.48 121.97 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.656 HD13 HG21 ' O' ' 39' ' ' VAL . 66.2 mt -134.76 127.18 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.739 HD12 HG21 ' Q' ' 32' ' ' ILE . 2.5 tt -134.25 129.42 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.73 115.93 0.61 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' G' ' 35' ' ' MET . 49.8 mt -51.72 -35.75 44.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 6.2 mtp -130.28 85.93 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.944 HG23 HG23 ' O' ' 36' ' ' VAL . 11.0 p -117.07 151.81 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.27 102.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.92 90.86 1.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.729 HG12 HG22 ' O' ' 39' ' ' VAL . 18.5 m -127.89 135.13 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.555 HG23 HG13 ' Q' ' 40' ' ' VAL . 6.2 p -136.7 126.8 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -120.5 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.737 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.034 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.08 156.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -152.32 -178.17 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -111.87 168.7 9.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -133.37 101.97 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -120.5 120.43 35.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -118.72 107.08 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.698 HG12 ' CG1' ' P' ' 18' ' ' VAL . 28.6 m -116.39 126.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -92.01 -61.91 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.54 138.38 53.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' R' ' 22' ' ' GLU . . . -93.91 -177.79 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.96 -177.18 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.34 52.52 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.31 133.68 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.02 -93.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -113.13 131.24 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . 0.568 HD21 ' HB2' ' Q' ' 30' ' ' ALA . 1.5 t30 -122.71 121.37 36.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -126.03 112.42 15.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.71 95.99 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' Q' ' 27' ' ' ASN . . . -138.78 120.43 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.667 HD13 ' CG2' ' P' ' 39' ' ' VAL . 63.8 mt -133.67 130.48 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.739 HG21 HD12 ' P' ' 32' ' ' ILE . 12.8 tt -134.19 135.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 120.78 0.69 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.78 -35.68 44.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.969 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.773 ' HE1' HD23 ' G' ' 17' ' ' LEU . 12.7 ttp -132.18 98.45 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.784 HG22 HG12 ' R' ' 36' ' ' VAL . 18.9 m -119.93 145.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 94.58 0.36 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.53 89.8 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.859 HG21 HG21 ' R' ' 31' ' ' ILE . 20.8 m -119.17 122.35 68.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.583 HG23 HG13 ' R' ' 40' ' ' VAL . 7.6 p -127.87 129.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . . . . . . . . . 61.9 mt -125.46 139.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.78 ' OXT' ' HB3' ' R' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.71 70.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -173.01 147.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -60.22 149.01 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.89 111.73 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -141.2 104.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.2 OUTLIER -96.73 119.35 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.506 HG23 HG23 ' Q' ' 18' ' ' VAL . 6.9 p -121.91 123.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -85.28 -64.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -125.19 147.98 48.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.34 -177.42 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' Q' ' 21' ' ' ALA . 6.6 pt-20 -74.99 -178.53 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t0 61.16 54.59 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.17 127.43 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.27 -98.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.25 125.46 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -123.55 137.24 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 130.47 45.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.33 100.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.34 124.59 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.859 HG21 HG21 ' Q' ' 39' ' ' VAL . 56.0 mt -143.4 121.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 tp -129.79 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.15 136.8 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' I' ' 34' ' ' LEU . 4.4 mm? -52.19 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . 0.525 ' CE ' HD23 ' H' ' 17' ' ' LEU . 14.0 ptm -114.22 112.19 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.784 HG12 HG22 ' Q' ' 36' ' ' VAL . 27.5 m -116.33 166.35 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 84.84 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.61 90.06 1.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.642 HG12 ' CG2' ' Q' ' 39' ' ' VAL . 18.8 m -114.98 135.96 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.583 HG13 HG23 ' Q' ' 40' ' ' VAL . 11.7 p -146.64 134.25 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . . . . . . . . . 38.2 pt -132.3 141.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.78 ' HB3' ' OXT' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.8 96.63 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -108.96 115.08 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -123.56 40.13 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -142.42 139.82 31.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 135.71 46.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -135.81 128.53 30.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 ' CG2' HG12 ' B' ' 18' ' ' VAL . 16.3 m -143.91 119.73 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' HB3' HD13 ' A' ' 32' ' ' ILE . 1.7 p90 -75.59 -174.5 2.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.88 131.68 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . -178.45 106.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 -179.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.15 118.16 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -142.38 176.74 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.43 -36.88 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -134.35 59.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -91.3 124.83 35.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -150.71 137.48 19.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' HG21 ' A' ' 41' ' ' ILE . . . 88.18 56.33 2.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.82 118.44 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -141.57 144.62 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.575 HD12 HG21 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.88 123.37 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.24 111.39 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' HD23 ' B' ' 34' ' ' LEU . 4.5 mm? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -138.5 90.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -147.34 150.45 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.29 158.46 23.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.84 70.15 1.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.51 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.486 ' HB ' HG12 ' B' ' 39' ' ' VAL . 21.6 t -108.14 139.36 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 HG23 ' B' ' 40' ' ' VAL . 5.2 p -148.25 121.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG21 ' HA3' ' A' ' 29' ' ' GLY . 16.0 mt -136.03 145.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.108 ' OXT' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -96.26 137.27 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -134.08 -173.62 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -49.2 -50.72 36.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.73 103.22 9.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -98.78 137.61 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 1.046 HD11 HD11 ' B' ' 32' ' ' ILE . 2.8 tm? -138.81 105.11 5.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.519 HG12 ' CG2' ' A' ' 18' ' ' VAL . 30.5 m -120.09 130.52 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' B' ' 30' ' ' ALA . 3.0 t80 -89.08 174.06 8.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.656 ' CE1' HG21 ' B' ' 24' ' ' VAL . 3.8 t80 -49.08 119.77 3.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 21' ' ' ALA . . . -159.01 105.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -177.73 179.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.2 102.25 1.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.656 HG21 ' CE1' ' B' ' 20' ' ' PHE . 52.3 t -138.08 142.68 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.53 -75.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 116.98 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -132.16 110.92 11.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.75 153.71 46.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.655 ' HA3' HG21 ' B' ' 41' ' ' ILE . . . 63.19 98.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.532 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.598 ' HB1' ' HE2' ' B' ' 19' ' ' PHE . . . -148.72 103.87 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 31' ' ' ILE . 2.8 mp -129.42 127.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 1.046 HD11 HD11 ' B' ' 17' ' ' LEU . 6.8 tt -122.29 121.07 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.29 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.622 HD13 HD23 ' C' ' 34' ' ' LEU . 3.4 mm? -52.68 -41.49 63.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.439 ' HE3' HD23 ' K' ' 17' ' ' LEU . 0.1 OUTLIER -136.87 110.57 8.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.759 HG22 HG12 ' C' ' 36' ' ' VAL . 33.6 m -145.0 -175.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.71 144.77 9.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.6 81.37 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' C' ' 39' ' ' VAL . 20.3 m -123.36 136.24 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.679 ' O ' HD13 ' B' ' 41' ' ' ILE . 19.3 m -133.81 128.47 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.679 HD13 ' O ' ' B' ' 40' ' ' VAL . 25.2 mm -137.55 139.55 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 1.108 ' HB3' ' OXT' ' A' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.932 0.396 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' D' ' 11' ' ' GLU . 26.5 m -151.1 124.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -179.4 -176.37 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -52.08 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -99.59 116.19 31.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.19 99.12 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.669 HD11 HD11 ' C' ' 32' ' ' ILE . 0.2 OUTLIER -101.18 94.87 6.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.31 129.97 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 32' ' ' ILE . 45.2 t80 -95.13 159.48 15.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.661 ' CZ ' HG21 ' C' ' 24' ' ' VAL . 1.2 t80 -45.99 116.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.49 111.79 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.89 178.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.67 114.63 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.888 HG22 HG12 ' D' ' 24' ' ' VAL . 47.2 t -142.57 149.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.14 -48.7 3.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.64 138.36 42.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -154.51 132.22 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.435 ' HD2' ' OXT' ' B' ' 42' ' ' ALA . 31.2 ttpt -149.45 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 80.64 1.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' C' ' 19' ' ' PHE . . . -128.73 112.39 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.556 HD12 ' N ' ' C' ' 32' ' ' ILE . 1.4 tp -138.97 126.29 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.669 HD11 HD11 ' C' ' 17' ' ' LEU . 18.4 tt -127.01 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.14 116.1 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' D' ' 34' ' ' LEU . 4.2 mm? -51.33 -35.45 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.512 ' SD ' HD12 ' L' ' 17' ' ' LEU . 0.0 OUTLIER -136.72 101.84 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.759 HG12 HG22 ' B' ' 36' ' ' VAL . 18.0 m -135.61 169.22 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.7 131.53 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.18 84.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.439 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.671 HG23 HG23 ' B' ' 39' ' ' VAL . 5.9 p -125.84 121.83 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.665 ' CG1' HG12 ' B' ' 40' ' ' VAL . 7.1 p -120.56 126.6 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.438 HD13 ' HB ' ' B' ' 41' ' ' ILE . 5.3 tp -128.92 134.79 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.708 ' HB3' ' OXT' ' B' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' C' ' 12' ' ' VAL . 41.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -178.44 144.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -110.07 -35.96 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -139.05 -76.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' E' ' 15' ' ' GLN . 0.0 OUTLIER -119.07 122.06 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' D' ' 18' ' ' VAL . 10.4 tptt -107.82 97.29 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' E' ' 17' ' ' LEU . 0.4 OUTLIER -99.9 89.0 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.956 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' D' ' 16' ' ' LYS . 94.4 t -111.33 126.83 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.79 ' CE2' HD11 ' D' ' 32' ' ' ILE . 7.8 t80 -84.31 167.05 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.584 ' HZ ' HG11 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -47.3 127.95 11.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.91 107.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.607 ' OE1' ' HB1' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -179.66 -179.89 0.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.31 93.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' E' ' 24' ' ' VAL . 11.7 p -122.07 151.3 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.54 -72.81 1.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -126.82 124.07 38.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -124.65 111.43 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 132.97 56.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.48 93.23 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.548 ' HB1' ' HE2' ' D' ' 19' ' ' PHE . . . -134.88 103.18 5.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.675 HG23 HG23 ' E' ' 31' ' ' ILE . 4.1 tp -116.81 124.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.79 HD11 ' CE2' ' D' ' 19' ' ' PHE . 4.5 mp -124.72 129.42 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . 172.05 138.08 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.766 HD13 HD13 ' C' ' 34' ' ' LEU . 10.8 mp -70.52 -63.66 1.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.448 ' HE2' HD12 ' M' ' 17' ' ' LEU . 3.3 mmm -94.53 77.34 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.709 HG13 HG23 ' C' ' 36' ' ' VAL . 13.1 t -112.64 153.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.12 134.51 4.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.85 88.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.668 HG11 HG21 ' D' ' 31' ' ' ILE . 44.0 t -130.85 127.49 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' E' ' 40' ' ' VAL . 16.9 m -126.92 119.64 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.44 HD12 HD11 ' E' ' 31' ' ' ILE . 24.1 mt -115.49 130.46 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.668 ' HB3' ' OXT' ' C' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.607 HG23 ' HB2' ' E' ' 16' ' ' LYS . 7.5 p -69.56 126.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.74 -68.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -117.17 -76.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER -119.56 118.61 31.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.607 ' HB2' HG23 ' E' ' 12' ' ' VAL . 2.5 tppt? -108.37 102.78 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' E' ' 32' ' ' ILE . 0.2 OUTLIER -106.23 94.39 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -121.33 127.62 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.7 172.6 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' E' ' 24' ' ' VAL . 0.0 OUTLIER -50.22 133.22 23.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.607 ' HB1' ' OE1' ' D' ' 22' ' ' GLU . . . -157.96 103.64 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.3 177.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.75 104.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.921 HG23 HG23 ' D' ' 24' ' ' VAL . 7.7 m -132.22 176.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.06 -80.84 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.71 140.09 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -148.57 126.32 11.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 132.77 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.75 72.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.65 123.63 49.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.681 HD11 HG21 ' E' ' 41' ' ' ILE . 3.8 mp -141.24 126.63 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' E' ' 17' ' ' LEU . 3.1 tt -130.74 123.72 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.18 137.78 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.97 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.418 ' CB ' HD11 ' N' ' 34' ' ' LEU . 0.1 OUTLIER -100.67 93.99 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.661 HG13 HG23 ' F' ' 36' ' ' VAL . 8.8 p -123.26 153.79 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.98 145.66 16.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.51 79.12 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' F' ' 39' ' ' VAL . 4.9 m -121.03 111.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.796 HG23 HG13 ' F' ' 40' ' ' VAL . 3.6 p -122.33 136.48 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ILE . . . . . 1.058 HD12 ' O ' ' E' ' 42' ' ' ALA . 1.2 pp -142.59 147.08 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' ALA . . . . . 1.058 ' O ' HD12 ' E' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.21 148.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.43 ' ND1' HG13 ' E' ' 12' ' ' VAL . 4.9 m-70 -114.32 156.96 23.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.26 -75.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 110.59 16.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' E' ' 12' ' ' VAL . 0.0 OUTLIER -106.6 97.71 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.657 ' HB3' HD22 ' E' ' 17' ' ' LEU . 1.1 mm? -102.67 99.42 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.758 HG13 HG23 ' G' ' 18' ' ' VAL . 6.4 p -129.34 127.72 65.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.51 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -52.64 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.92 94.0 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.492 ' OE1' ' HB1' ' G' ' 21' ' ' ALA . 0.0 OUTLIER -173.64 -174.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.24 114.28 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.753 ' HB ' HG12 ' E' ' 24' ' ' VAL . 19.7 t -134.6 151.35 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.114 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.94 -62.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.56 138.65 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 110.786 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -130.63 94.66 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -111.04 109.47 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.9 102.92 2.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.95 106.91 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.678 0.275 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.52 ' CG1' HD13 ' E' ' 31' ' ' ILE . 2.5 mp -132.75 132.48 59.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.838 HD12 HG21 ' G' ' 32' ' ' ILE . 1.3 tt -128.62 122.29 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.73 126.73 1.32 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' P' ' 35' ' ' MET . 9.1 mp -63.78 -38.26 90.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.714 ' CE ' HD23 ' O' ' 17' ' ' LEU . 21.2 mmm -121.6 82.22 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.912 HG13 HG23 ' G' ' 36' ' ' VAL . 6.5 p -114.78 130.25 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 141.69 15.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.77 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.837 HG23 HG23 ' E' ' 39' ' ' VAL . 5.3 p -132.64 134.59 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.796 HG13 HG23 ' E' ' 40' ' ' VAL . 2.5 p -138.31 114.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' F' ' 42' ' ' ALA . 0.0 OUTLIER -116.91 136.85 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.892 ' OXT' ' HB3' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.73 117.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -143.45 159.48 42.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -119.06 -74.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -90.98 102.96 15.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -109.85 112.13 23.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.683 HD12 HD11 ' G' ' 32' ' ' ILE . 0.1 OUTLIER -120.53 91.53 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.758 HG23 HG13 ' F' ' 18' ' ' VAL . 5.4 p -124.75 132.82 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.55 173.3 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' G' ' 24' ' ' VAL . 29.4 p90 -50.63 133.97 24.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' OE1' ' F' ' 22' ' ' GLU . . . -136.53 87.94 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.618 ' O ' HG23 ' G' ' 24' ' ' VAL . 0.0 OUTLIER -171.38 178.61 3.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.98 125.98 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.681 HG22 ' CG2' ' H' ' 24' ' ' VAL . 43.8 t -137.85 147.71 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.05 -80.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.58 89.08 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.472 ' HB2' HG11 ' G' ' 24' ' ' VAL . 13.8 t-20 -89.49 123.47 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -151.13 134.66 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.32 58.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.54 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.08 107.36 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.644 HG21 HD12 ' H' ' 31' ' ' ILE . 0.6 OUTLIER -133.1 127.27 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.838 HG21 HD12 ' F' ' 32' ' ' ILE . 1.5 tt -127.94 133.16 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.77 123.57 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' H' ' 34' ' ' LEU . 4.5 mm? -56.03 -55.7 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.7 ttm -111.71 101.46 9.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.912 HG23 HG13 ' F' ' 36' ' ' VAL . 7.8 p -128.83 146.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.08 140.95 12.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 79.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.554 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.688 HG23 HG13 ' F' ' 39' ' ' VAL . 6.7 p -122.76 122.74 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.059 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' H' ' 40' ' ' VAL . 4.9 p -125.73 125.73 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.064 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 41' ' ' ILE . . . . . 1.018 HD13 ' O ' ' G' ' 42' ' ' ALA . 0.0 OUTLIER -123.51 140.94 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 42' ' ' ALA . . . . . 1.018 ' O ' HD13 ' G' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' H' ' 13' ' ' HIS . 3.9 m -114.72 -35.34 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.415 ' CD2' HG23 ' H' ' 12' ' ' VAL . 1.9 p80 -146.07 138.05 25.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 179.85 -179.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HE1' ' Q' ' 35' ' ' MET . 0.6 OUTLIER -119.25 114.02 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -102.85 85.9 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.815 HD12 HD11 ' H' ' 32' ' ' ILE . 0.1 OUTLIER -97.05 95.32 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.75 HG23 HG13 ' G' ' 18' ' ' VAL . 5.3 p -133.31 130.72 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 177.72 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -57.91 134.86 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.71 76.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.78 167.88 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.17 142.51 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.681 ' CG2' HG22 ' G' ' 24' ' ' VAL . 6.2 m -152.83 128.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.72 -83.32 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -99.23 113.87 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.12 94.65 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.766 ' HE2' ' OXT' ' G' ' 42' ' ' ALA . 44.3 tttt -119.94 118.97 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.69 97.66 1.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.55 106.7 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.644 HD12 HG21 ' G' ' 31' ' ' ILE . 1.3 tt -129.41 126.86 64.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.815 HD11 HD12 ' H' ' 17' ' ' LEU . 5.1 tt -120.78 131.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.53 135.25 2.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' Q' ' 34' ' ' LEU . 4.3 mm? -68.2 -60.9 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.3 tpt -101.1 81.18 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.835 HG23 HG13 ' I' ' 36' ' ' VAL . 19.0 m -111.35 150.43 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.54 150.53 21.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.03 58.9 9.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.622 HG22 ' CG1' ' G' ' 39' ' ' VAL . 20.9 t -106.52 123.04 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 40' ' ' VAL . 14.6 m -128.63 126.35 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . 0.519 HD11 HG22 ' H' ' 31' ' ' ILE . 62.7 mt -114.93 124.68 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' OXT' ' G' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.914 0.387 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -100.4 127.94 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.99 146.32 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -116.91 162.31 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -82.68 112.17 19.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.51 108.2 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.588 ' HB3' HD22 ' H' ' 17' ' ' LEU . 0.3 OUTLIER -119.0 74.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.622 HG23 HG13 ' H' ' 18' ' ' VAL . 3.4 p -115.74 123.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.71 178.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' I' ' 24' ' ' VAL . 43.1 p90 -61.68 147.79 44.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.04 68.84 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -155.72 163.6 39.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.44 138.9 54.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.452 ' HB ' HG12 ' H' ' 24' ' ' VAL . 91.0 t -143.52 107.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -83.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -92.02 110.55 21.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.392 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -113.44 102.02 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.452 ' HE3' ' OXT' ' I' ' 42' ' ' ALA . 28.6 ttpt -120.92 120.74 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.37 99.82 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.26 77.29 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.601 HD12 HG21 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -106.49 134.19 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -133.52 137.52 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.0 142.13 3.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.66 -74.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 7.8 tpt -83.24 69.54 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.835 HG13 HG23 ' H' ' 36' ' ' VAL . 40.5 t -94.89 143.06 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.55 124.8 4.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.17 75.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.526 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.601 HG21 HD12 ' I' ' 31' ' ' ILE . 14.8 p -113.69 134.59 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.484 ' HB ' HG12 ' H' ' 40' ' ' VAL . 96.1 t -126.76 125.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.08 92.25 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 42' ' ' ALA . . . . . 0.452 ' OXT' ' HE3' ' I' ' 28' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.74 145.6 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -99.58 62.99 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -109.28 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -90.65 123.43 34.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -132.12 119.24 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -112.59 135.42 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -122.64 141.82 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.484 ' CZ ' ' HB1' ' J' ' 30' ' ' ALA . 8.0 t80 -115.33 -68.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.474 ' HB2' HG11 ' J' ' 24' ' ' VAL . 3.0 p90 -147.73 132.85 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.87 -170.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.18 50.8 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.06 64.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.474 HG11 ' HB2' ' J' ' 20' ' ' PHE . 16.5 m -61.97 145.84 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.23 -86.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.98 97.31 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -93.26 74.8 4.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -82.5 128.16 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' J' ' 41' ' ' ILE . . . 53.55 90.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' J' ' 19' ' ' PHE . . . -132.32 124.01 27.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.058 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -131.59 140.55 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.585 HG13 HG23 ' K' ' 32' ' ' ILE . 12.1 tt -138.47 132.94 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.54 129.07 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -80.03 -40.47 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 6.0 ttp -132.72 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.476 ' H ' HG12 ' K' ' 36' ' ' VAL . 26.7 m -139.47 149.98 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.01 124.82 4.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 76.51 1.01 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.634 ' CG2' HG22 ' K' ' 39' ' ' VAL . 16.4 m -117.46 127.77 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.516 HG23 HG23 ' K' ' 40' ' ' VAL . 6.3 p -126.82 143.64 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.819 HG21 ' HA2' ' K' ' 29' ' ' GLY . 41.3 mm -125.6 135.93 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.806 ' OXT' ' HB3' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' L' ' 12' ' ' VAL . 18.0 m -107.42 36.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -95.84 125.61 40.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -175.04 139.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.24 115.11 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.13 125.96 54.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.829 HD11 HD11 ' K' ' 32' ' ' ILE . 3.4 tm? -128.5 101.85 6.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 63.0 t -101.8 139.75 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' K' ' 30' ' ' ALA . 31.3 t80 -114.66 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.58 126.28 14.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.8 -170.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.05 51.52 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 51.97 65.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 18.7 m -65.04 141.12 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.82 -119.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.52 115.06 27.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -115.11 115.34 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -119.3 111.77 18.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.819 ' HA2' HG21 ' J' ' 41' ' ' ILE . . . 72.88 93.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' K' ' 19' ' ' PHE . . . -139.19 121.19 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.722 0.296 . . . . 0.0 111.086 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.686 HD13 ' CG1' ' K' ' 39' ' ' VAL . 2.7 mp -128.21 133.5 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.829 HD11 HD11 ' K' ' 17' ' ' LEU . 2.2 tt -128.29 122.62 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.63 128.11 1.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.89 -49.3 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.59 73.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.476 HG12 ' H ' ' J' ' 36' ' ' VAL . 27.6 m -128.15 -174.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.64 158.92 32.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.24 83.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.545 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.686 ' CG1' HD13 ' K' ' 31' ' ' ILE . 37.2 t -119.97 130.96 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.695 HG12 HG22 ' L' ' 40' ' ' VAL . 18.6 m -133.5 121.85 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 41' ' ' ILE . . . . . 0.478 HD11 HD12 ' K' ' 31' ' ' ILE . 83.5 mt -115.19 127.11 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 42' ' ' ALA . . . . . 0.806 ' HB3' ' OXT' ' J' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.898 0.38 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.716 ' HB ' HG12 ' K' ' 12' ' ' VAL . 15.7 m -144.27 124.59 8.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -138.79 176.42 8.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.93 -66.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.69 110.53 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.53 113.41 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 35' ' ' MET . 0.3 OUTLIER -127.78 120.58 28.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -120.57 123.67 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' HB1' ' L' ' 30' ' ' ALA . 39.3 t80 -88.93 -67.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.46 134.66 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.54 -172.33 0.28 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 61.6 53.63 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 51.96 69.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 m -67.86 154.21 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.39 -114.64 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 38.9 m -114.72 119.09 35.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -120.47 122.76 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -117.71 99.14 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' K' ' 41' ' ' ILE . . . 92.26 83.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.69 ' HB1' ' CZ ' ' L' ' 19' ' ' PHE . . . -122.3 123.28 41.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.302 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.527 HD13 ' HB ' ' L' ' 39' ' ' VAL . 63.9 mt -129.07 122.12 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.571 HG21 HD12 ' K' ' 32' ' ' ILE . 3.2 tt -123.14 119.17 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.4 123.24 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.83 -35.05 69.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.33 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 12.5 tpp -135.43 84.36 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.719 HG22 HG12 ' M' ' 36' ' ' VAL . 15.6 m -136.4 -172.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.64 144.37 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.95 91.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.757 HG22 HG12 ' M' ' 39' ' ' VAL . 34.2 m -139.77 129.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.179 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.695 HG22 HG12 ' K' ' 40' ' ' VAL . 15.6 m -120.94 137.87 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 64.2 mt -124.85 123.94 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.725 ' HB3' ' OXT' ' K' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.91 0.386 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.23 131.02 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -172.65 116.8 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -74.02 -60.42 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.01 103.22 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.66 105.63 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' D' ' 35' ' ' MET . 0.3 OUTLIER -117.67 118.27 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.544 ' CG1' HG13 ' N' ' 18' ' ' VAL . 6.5 p -125.08 124.19 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.597 ' CE2' ' HB1' ' M' ' 30' ' ' ALA . 29.2 t80 -98.5 -43.9 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -157.35 130.57 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.93 -169.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 57.09 60.95 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 51.69 73.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -67.3 149.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.63 -112.92 1.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.71 115.81 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.395 . . . . 0.0 110.788 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -119.79 120.54 36.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -119.63 109.01 15.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.23 94.67 0.12 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.597 ' HB1' ' CE2' ' M' ' 19' ' ' PHE . . . -134.9 126.58 29.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.572 HD13 ' HB ' ' M' ' 39' ' ' VAL . 52.3 mt -128.73 126.2 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.456 HD12 HG21 ' N' ' 32' ' ' ILE . 2.6 tt -124.19 132.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.71 121.86 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' N' ' 34' ' ' LEU . 4.0 mm? -64.95 -37.15 86.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 7.0 tpt -131.49 82.22 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.719 HG12 HG22 ' L' ' 36' ' ' VAL . 31.4 m -133.35 -175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.11 39.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.01 76.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.853 HG22 HG12 ' N' ' 39' ' ' VAL . 10.5 m -129.12 137.45 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.666 ' CG1' HG12 ' L' ' 40' ' ' VAL . 3.3 p -133.54 121.59 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 41' ' ' ILE . . . . . 0.469 HG21 ' HA2' ' N' ' 29' ' ' GLY . 78.9 mt -110.94 126.79 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 42' ' ' ALA . . . . . 1.163 ' OXT' ' HB3' ' N' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.72 145.03 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -90.22 117.39 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.14 -70.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.32 115.02 26.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -119.6 77.33 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 114.64 27.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.544 HG13 ' CG1' ' M' ' 18' ' ' VAL . 22.7 t -127.13 130.14 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.713 ' CZ ' ' HB1' ' N' ' 30' ' ' ALA . 52.0 t80 -108.19 -55.92 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' N' ' 24' ' ' VAL . 1.4 m-85 -148.18 129.89 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.56 -170.39 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.92 54.14 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 59.41 75.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' N' ' 20' ' ' PHE . 26.7 t -70.34 148.64 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -96.04 1.3 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.26 142.7 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.52 136.13 32.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -139.49 99.35 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.469 ' HA2' HG21 ' M' ' 41' ' ' ILE . . . 80.89 91.21 0.52 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.541 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.713 ' HB1' ' CZ ' ' N' ' 19' ' ' PHE . . . -130.89 138.16 49.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.06 126.0 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.707 HD12 HG21 ' O' ' 32' ' ' ILE . 1.5 tt -125.71 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.57 127.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.807 HD12 HD12 ' M' ' 34' ' ' LEU . 88.2 mt -60.25 -46.73 88.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.433 ' HB2' HD21 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -122.21 89.42 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' O' ' 36' ' ' VAL . 34.6 m -132.33 165.27 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.04 164.22 33.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.96 74.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.853 HG12 HG22 ' M' ' 39' ' ' VAL . 15.9 m -128.21 134.51 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.642 HG12 ' CG1' ' O' ' 40' ' ' VAL . 17.1 m -129.34 135.9 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.592 HD12 HG12 ' O' ' 41' ' ' ILE . 78.7 mt -123.61 128.02 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 1.163 ' HB3' ' OXT' ' M' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -125.03 -42.84 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -156.85 -177.93 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.33 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -113.43 104.39 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 131.58 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -135.92 89.39 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.408 ' HB ' HG12 ' P' ' 18' ' ' VAL . 48.9 t -99.66 123.93 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' O' ' 30' ' ' ALA . 10.4 t80 -99.05 -56.92 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -147.68 132.26 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.33 -171.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.19 60.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 53.88 76.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.561 HG13 ' CG2' ' P' ' 24' ' ' VAL . 93.4 t -76.61 141.01 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.25 -84.18 0.62 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.16 122.15 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.816 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' O' ' 30' ' ' ALA . 20.3 t-20 -120.33 126.92 51.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -126.78 119.09 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.403 ' HA2' HG21 ' N' ' 41' ' ' ILE . . . 67.25 87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' O' ' 19' ' ' PHE . . . -131.59 133.27 44.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.711 0.291 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.406 HD13 HG21 ' N' ' 39' ' ' VAL . 28.1 mt -135.67 128.46 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.77 HD12 HG21 ' P' ' 32' ' ' ILE . 1.7 tt -126.56 130.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.48 116.73 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.552 HD12 HD22 ' N' ' 34' ' ' LEU . 42.5 mt -51.75 -47.22 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.427 ' HE1' HD23 ' F' ' 17' ' ' LEU . 1.1 tpt -116.45 72.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.93 HG23 HG23 ' N' ' 36' ' ' VAL . 10.6 p -113.25 153.24 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.42 159.02 27.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . 51.84 74.7 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.762 HG12 HG22 ' N' ' 39' ' ' VAL . 14.3 m -127.12 136.81 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.838 HG23 HG13 ' P' ' 40' ' ' VAL . 7.1 p -136.71 135.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 41' ' ' ILE . . . . . 0.592 HG12 HD12 ' N' ' 41' ' ' ILE . 62.7 mt -127.78 137.64 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 42' ' ' ALA . . . . . 1.052 ' OXT' ' HB3' ' P' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.12 41.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.32 115.54 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -153.58 121.47 6.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 110.36 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.94 126.12 45.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.74 ' HB3' HD22 ' O' ' 17' ' ' LEU . 0.5 OUTLIER -125.73 122.56 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' Q' ' 18' ' ' VAL . 19.0 m -133.38 136.0 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' P' ' 30' ' ' ALA . 50.3 t80 -103.9 -57.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -136.24 130.78 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.43 -175.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 63.89 60.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.56 67.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.561 ' CG2' HG13 ' O' ' 24' ' ' VAL . 15.5 m -71.34 158.89 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.18 -108.11 2.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.38 130.24 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' P' ' 30' ' ' ALA . 22.4 t-20 -127.22 113.16 15.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -108.81 111.73 23.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.506 ' HA3' HG21 ' P' ' 41' ' ' ILE . . . 72.2 91.96 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' P' ' 27' ' ' ASN . . . -120.87 128.02 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.676 ' CG1' HD11 ' P' ' 41' ' ' ILE . 29.4 mm -134.11 113.6 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.77 HG21 HD12 ' O' ' 32' ' ' ILE . 4.0 tt -119.98 131.14 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.96 123.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.537 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.59 -48.86 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.487 ' HB2' HD21 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -117.37 93.24 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.948 HG22 HG12 ' Q' ' 36' ' ' VAL . 19.9 m -125.23 166.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 134.03 3.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.61 76.52 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.742 HG23 HG23 ' O' ' 39' ' ' VAL . 4.3 p -129.55 124.83 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.838 HG13 HG23 ' O' ' 40' ' ' VAL . 2.7 p -125.1 108.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . 0.676 HD11 ' CG1' ' P' ' 31' ' ' ILE . 39.3 mt -107.46 141.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 1.052 ' HB3' ' OXT' ' O' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Q' Q ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.26 -37.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 13' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.92 131.37 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -114.31 -66.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -95.49 104.91 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -120.08 115.65 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 17' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' R' ' 17' ' ' LEU . 0.1 OUTLIER -117.76 99.17 6.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 18' ' ' VAL . . . . . 0.694 HG12 ' CG2' ' P' ' 18' ' ' VAL . 30.5 m -116.58 124.94 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 19' ' ' PHE . . . . . 0.528 ' HE2' ' HB1' ' Q' ' 30' ' ' ALA . 38.8 t80 -95.8 -64.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.68 138.51 47.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.09 -169.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 61.76 56.21 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.84 67.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.52 165.38 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.66 -102.48 2.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 26' ' ' SER . . . . . . . . . . . . . 6.9 m -122.92 130.58 53.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -123.4 144.61 49.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 125.95 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.2 60.5 8.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.57 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 30' ' ' ALA . . . . . 0.528 ' HB1' ' HE2' ' Q' ' 19' ' ' PHE . . . -99.08 128.22 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 31' ' ' ILE . . . . . 0.599 ' HB ' HG22 ' R' ' 31' ' ' ILE . 60.9 mt -133.35 130.89 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . 0.463 HD11 HD12 ' Q' ' 17' ' ' LEU . 5.5 tt -131.37 136.34 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.74 125.34 0.78 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 34' ' ' LEU . . . . . 0.489 HD13 HD23 ' R' ' 34' ' ' LEU . 4.4 mm? -52.98 -51.84 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 35' ' ' MET . . . . . 0.474 ' HE1' ' HB3' ' H' ' 15' ' ' GLN . 0.0 OUTLIER -111.6 82.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 36' ' ' VAL . . . . . 0.948 HG12 HG22 ' P' ' 36' ' ' VAL . 13.5 m -110.41 155.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.94 17.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.38 70.69 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.467 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 39' ' ' VAL . . . . . 0.711 HG12 ' CG1' ' P' ' 39' ' ' VAL . 18.7 m -118.46 120.48 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 40' ' ' VAL . . . . . 0.489 HG23 HG13 ' R' ' 40' ' ' VAL . 2.7 p -132.82 116.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 41' ' ' ILE . . . . . 0.912 HD12 ' OXT' ' Q' ' 42' ' ' ALA . 1.9 pp -124.66 140.35 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 42' ' ' ALA . . . . . 0.912 ' OXT' HD12 ' Q' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' R' R ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 m -140.32 155.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.63 171.18 14.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -151.1 120.48 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -109.48 95.15 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 84.43 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 17' ' ' LEU . . . . . 0.767 ' HB3' HD22 ' Q' ' 17' ' ' LEU . 0.1 OUTLIER -84.54 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 18' ' ' VAL . . . . . 0.675 HG12 ' CG2' ' Q' ' 18' ' ' VAL . 33.0 m -115.12 132.79 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 19' ' ' PHE . . . . . 0.519 ' HE1' ' HB1' ' R' ' 30' ' ' ALA . 53.9 t80 -102.15 -61.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 20' ' ' PHE . . . . . 0.526 ' HB3' HG21 ' R' ' 24' ' ' VAL . 0.7 OUTLIER -141.33 141.65 33.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 21' ' ' ALA . . . . . . . . . . . . . . . -173.85 -168.81 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 60.26 54.2 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 55.11 80.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 24' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' R' ' 20' ' ' PHE . 36.0 t -76.8 142.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.79 -109.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.75 121.33 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -116.99 127.97 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.94 84.45 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 76.25 1.07 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.433 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HE1' ' R' ' 19' ' ' PHE . . . -121.44 110.76 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 31' ' ' ILE . . . . . 0.759 HD13 HG11 ' R' ' 39' ' ' VAL . 1.2 pp -119.66 123.35 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . 0.44 HD13 ' N ' ' R' ' 33' ' ' GLY . 0.0 OUTLIER -116.77 144.29 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' R' R ' 33' ' ' GLY . . . . . 0.548 ' O ' HG13 ' R' ' 36' ' ' VAL . . . 167.89 122.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.437 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 34' ' ' LEU . . . . . 0.489 HD23 HD13 ' Q' ' 34' ' ' LEU . 4.2 mm? -55.78 -44.38 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.56 80.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 36' ' ' VAL . . . . . 0.639 HG12 ' CG2' ' Q' ' 36' ' ' VAL . 18.2 m -98.05 172.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.57 119.72 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.3 86.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' R' R ' 39' ' ' VAL . . . . . 0.759 HG11 HD13 ' R' ' 31' ' ' ILE . 15.5 m -124.48 136.98 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 40' ' ' VAL . . . . . 0.489 HG13 HG23 ' Q' ' 40' ' ' VAL . 7.5 p -145.53 125.7 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.205 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 41' ' ' ILE . . . . . 0.669 HG22 ' CG1' ' Q' ' 41' ' ' ILE . 1.8 pp -129.24 136.62 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' R' R ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' C ' ' Q' ' 42' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 stop_ save_